data_2oqp_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 2oqp _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' HG2' ' CG2' ' A' ' 120' ' ' ILE . 19.6 mtp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.53 ' CG1' ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.419 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.0 m120 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.571 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.418 ' N ' HG21 ' A' ' 70' ' ' VAL . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.418 ' CA ' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.53 ' CB ' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.743 ' HD1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.743 ' N ' ' HD1' ' A' ' 121' ' ' HIS . 13.1 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.484 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 24.0 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.482 0.182 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 113' ' ' LYS . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.498 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' HG13 ' A' ' 120' ' ' ILE . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' GLU . 15.6 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.461 ' O ' ' CG ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.481 ' CG ' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 2.9 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.525 0.202 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 116' ' ' LEU . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CE2' HD11 ' A' ' 67' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CB ' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' ' CB ' ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 72' ' ' ILE . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.474 ' CG1' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.471 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 44' ' ' GLU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.572 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.8 t-160 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 13.6 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.467 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 15.5 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.492 0.187 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.466 HG21 ' CG ' ' A' ' 113' ' ' LYS . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.496 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.509 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.42 HG21 ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' PRO . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.632 ' CB ' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.587 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.419 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.632 ' CE1' ' CB ' ' A' ' 54' ' ' ALA . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.444 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.543 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 113' ' ' LYS . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.441 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' ILE . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CH2' HG13 ' A' ' 120' ' ' ILE . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ILE . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 24' ' ' TYR . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 71' ' ' SER . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 70' ' ' VAL . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 112' ' ' PHE . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.559 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 52.5 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.488 0.185 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 56' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.466 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.497 ' ND2' ' CE1' ' A' ' 24' ' ' TYR . 6.7 m120 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CE2' HD21 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.543 ' CD2' ' CG2' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.486 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CZ3' ' A' ' 45' ' ' TRP . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 15' ' ' ILE . 9.2 tmm? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.491 0.186 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 113' ' ' LYS . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.616 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.402 HG21 ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 108' ' ' PHE . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.495 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 71' ' ' SER . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 71' ' ' SER . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 54' ' ' ALA . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.426 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' CG ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 2.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.542 0.211 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.508 HD11 ' CD2' ' A' ' 121' ' ' HIS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.408 ' CB ' ' HB3' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 HG11 ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' HD22 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 3.3 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.446 HD12 ' CB ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 6.4 t30 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 71' ' ' SER . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 70' ' ' VAL . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.507 ' CE1' ' CD1' ' A' ' 51' ' ' PHE . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.474 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE2' HG23 ' A' ' 67' ' ' ILE . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.48 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.458 ' CH2' HG13 ' A' ' 120' ' ' ILE . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.611 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.507 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.508 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 21.7 m120 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 24' ' ' TYR . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 71' ' ' SER . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.483 ' N ' HG21 ' A' ' 70' ' ' VAL . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.611 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' ' HB ' ' A' ' 120' ' ' ILE . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.507 ' HB ' ' CD2' ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.464 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 13.6 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.489 0.185 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 11' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.581 ' CE1' ' CG ' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 45' ' ' TRP . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.581 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.492 ' O ' HG21 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.443 ' N ' ' C ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 112' ' ' PHE . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.473 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.481 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.475 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.469 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 4.6 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 11' ' ' MET . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.487 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 21' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 72' ' ' ILE . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.502 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 33' ' ' LEU . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.487 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.581 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.581 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.5 0.19 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.546 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.562 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' C ' ' N ' ' A' ' 26' ' ' ASN . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.493 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CB ' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD21 ' A' ' 56' ' ' LEU . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 4.2 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.621 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 71' ' ' SER . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.481 ' O ' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 108' ' ' PHE . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.561 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.402 ' CG ' ' H ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.508 0.195 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.654 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.581 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.482 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.515 ' SG ' ' CG1' ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.541 ' CH2' HG13 ' A' ' 120' ' ' ILE . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 9.1 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 64' ' ' ASN . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' CB ' ' A' ' 58' ' ' SER . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 71' ' ' SER . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.575 ' CE2' HG21 ' A' ' 67' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' N ' ' A' ' 27' ' ' ASP . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 58' ' ' SER . 2.0 m120 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.43 ' CA ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.522 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.575 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HB3' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 51' ' ' PHE . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.479 0.181 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.471 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.426 ' CD1' ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.447 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CE2' HG22 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 56' ' ' LEU . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 40' ' ' GLU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' SER . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' CB ' ' HB2' ' A' ' 119' ' ' MET . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' CYS . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASN . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.577 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 71' ' ' SER . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' HG21 ' A' ' 70' ' ' VAL . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CE2' HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.542 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.3 t-80 -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 120' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.529 0.204 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 11' ' ' MET . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 67' ' ' ILE . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG3' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.502 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 20.5 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASN . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 70' ' ' VAL . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.418 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.445 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' HD23 ' A' ' 33' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' PHE . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' PHE . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.491 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.6 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.589 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.522 0.201 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' LYS . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 56' ' ' LEU . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' O ' ' CA ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.518 ' SG ' ' CG1' ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.65 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.457 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 4.3 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 64' ' ' ASN . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.554 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.523 ' NH2' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.3 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.6 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.54 0.21 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.487 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB2' ' CG1' ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.536 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.461 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.452 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 114' ' ' SER . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.561 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.483 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 121' ' ' HIS . 29.9 mtp . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.521 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' CG ' HD22 ' A' ' 115' ' ' LEU . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' PHE . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.592 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 1.5 p30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.581 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.444 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.581 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 70' ' ' VAL . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.481 HD22 ' CG ' ' A' ' 44' ' ' GLU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.435 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.579 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.473 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.579 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 15.4 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.479 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 116' ' ' LEU . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 119' ' ' MET . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CH2' HG13 ' A' ' 120' ' ' ILE . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.592 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.592 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 44' ' ' GLU . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ILE . . . . . 0.578 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.488 0.185 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.21 161.65 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.55 175.65 14.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.72 99.39 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.566 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 3.9 m-20 -58.76 141.74 52.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.13 -47.63 81.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.566 ' CE1' ' HB3' ' A' ' 5' ' ' ASP . 7.3 p80 -57.02 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -42.33 -53.94 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.476 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 15.7 mt -40.07 -48.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.2 ttp-105 -61.03 -61.11 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HG2' ' CG2' ' A' ' 120' ' ' ILE . 19.6 mtp -42.7 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.406 ' O ' HG22 ' A' ' 15' ' ' ILE . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.53 ' CG1' ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 HD23 ' CD2' ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.552 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG2' HD11 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.467 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CH2' ' HG3' ' A' ' 80' ' ' PRO . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 47.57 73.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.6 p -131.7 6.48 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 93.95 110.92 2.19 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 4.9 m-20 155.69 -86.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.8 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.419 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 4.0 m120 -114.74 38.77 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.571 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.418 ' N ' HG21 ' A' ' 70' ' ' VAL . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' CA ' HD11 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.58 14.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HG3' ' CH2' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 82' ' ' THR . 27.8 m 64.65 148.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.604 ' OG1' ' N ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 32.21 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.604 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -176.06 -65.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.93 93.73 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.86 6.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -44.1 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 81.4 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 44.39 58.94 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 -170.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.469 ' N ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -161.12 -89.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -41.81 -46.42 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 42' ' ' ASN . 2.3 pp -175.59 159.64 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 p -92.76 154.17 18.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -133.24 150.55 75.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.5 m -59.68 176.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -98.51 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.75 83.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -134.27 -45.73 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.2 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.21 160.36 14.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 176.69 9.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.654 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.53 ' CB ' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.468 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.743 ' HD1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.743 ' N ' ' HD1' ' A' ' 121' ' ' HIS . 13.1 pt20 -46.14 -36.93 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 5.5 t60 -42.15 -28.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -92.99 -53.27 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.97 133.65 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' THR . 1.4 tpt85 72.74 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' ARG . 95.6 m 38.29 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.47 133.1 34.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.98 87.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.33 125.92 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.95 134.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -141.9 -55.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.06 77.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.5 -171.25 15.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.2 169.4 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.97 150.07 43.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -69.68 -22.53 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -82.7 -38.47 23.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 11' ' ' MET . 0.7 OUTLIER -63.85 -44.66 92.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.61 -31.64 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CZ ' ' A' ' 77' ' ' ARG . 14.8 tpp85 -57.7 -40.23 79.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.484 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 24.0 ptt? -96.45 -46.39 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' O ' ' CD1' ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.481 HG21 ' CG ' ' A' ' 113' ' ' LYS . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.437 HG12 ' CB ' ' A' ' 74' ' ' LYS . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 25' ' ' VAL . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.477 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 HG21 ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.427 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 46' ' ' SER . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.498 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.657 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 62.98 47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 p -144.06 26.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -155.69 161.26 30.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' GLU . 2.2 t30 -58.06 -48.68 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 65' ' ' GLU . 15.6 m-20 -42.38 -29.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.553 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 71' ' ' SER . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' CZ ' ' HD2' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.4 Cg_endo -75.03 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.68 82.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.1 t 179.22 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 67.59 -68.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 63.86 88.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.17 63.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 -65.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.92 134.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 56.06 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 120.7 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.2 t-160 -59.3 -56.7 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.524 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 15.1 mmt180 -59.7 81.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.524 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER 42.85 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 m -131.52 123.86 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.1 t -97.33 135.81 21.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.7 2.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t 43.85 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.543 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -135.5 -51.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -17.6 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -15.13 29.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.543 ' CE2' ' HA ' ' A' ' 97' ' ' CYS . 17.9 m-85 -89.15 18.21 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.64 -167.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.39 -168.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.657 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.468 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.481 ' CG ' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 114' ' ' SER . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.408 ' CD1' ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.435 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.435 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 -47.14 -40.16 15.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -39.56 -52.22 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -56.93 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -70.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.14 78.45 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.13 155.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.1 t -120.73 68.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 5.9 p-80 -160.12 116.66 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.57 139.56 2.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.38 133.64 23.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.52 81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.33 111.23 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.48 172.14 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.89 145.93 12.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -153.15 74.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -130.86 154.44 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -24.27 21.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -82.25 -37.97 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 11.7 mtp -60.97 -41.27 96.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.1 pp -78.64 -18.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.17 64.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.476 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 2.9 ptt? -96.25 -32.42 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.447 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 9' ' ' ILE . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD13 ' CD2' ' A' ' 116' ' ' LEU . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 ' CD1' ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.483 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.461 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' CE2' HD11 ' A' ' 67' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CB ' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.515 ' HB3' ' CB ' ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.634 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.401 ' O ' HD11 ' A' ' 72' ' ' ILE . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.471 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 78.41 62.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.434 ' CG2' ' HB1' ' A' ' 59' ' ' ALA . 4.8 p -119.88 -7.88 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 87.85 178.49 47.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 7.6 t30 82.18 -70.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 66' ' ' ARG . 0.3 OUTLIER -102.49 -27.89 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.474 ' CG1' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.471 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 174.13 13.32 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.574 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -119.01 -59.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -66.85 69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' SER . 4.2 p30 -74.06 -51.89 14.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' N ' ' OD1' ' A' ' 83' ' ' ASN . . . 51.84 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.74 62.57 0.68 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.22 -59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.01 -62.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.33 149.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.41 -172.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 1.9 t-160 -125.82 -175.19 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER 80.4 0.59 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 175.89 -178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.5 m -118.45 59.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 123.24 70.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.31 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.8 p -80.38 175.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -104.54 58.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.08 -46.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -73.27 58.42 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 99' ' ' SER . 22.2 m-85 -146.38 -168.24 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.44 135.1 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 174.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.483 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 44' ' ' GLU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.416 ' CD2' HD13 ' A' ' 14' ' ' LEU . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.572 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.8 t-160 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 13.6 pt20 -43.32 -33.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.05 -55.15 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -97.04 -56.89 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 t -100.48 86.1 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.0 m -43.17 -63.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 115.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 m -52.57 134.67 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -51.04 121.77 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.637 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.03 93.96 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.56 134.49 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.71 82.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 133.33 41.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.487 0.184 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 75.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.33 78.71 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.56 78.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' HIS . 0.4 OUTLIER -99.53 142.74 30.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -44.73 -26.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' ASP . 48.8 m170 -88.89 -49.25 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttm -50.92 -39.61 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.86 -31.0 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.54 74.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.467 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 15.5 ptp -95.51 -44.96 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.466 HG21 ' CG ' ' A' ' 113' ' ' LYS . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.448 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.496 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.509 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.509 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.4 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.471 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 34' ' ' PRO . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.414 ' HB3' ' NZ ' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.411 ' CG ' ' HB3' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.42 HG21 ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.411 ' HB3' ' CG ' ' A' ' 36' ' ' PRO . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.632 ' CB ' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 58' ' ' SER . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 61' ' ' THR . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 38.59 30.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' ALA . 1.9 p -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . . . 84.1 -46.69 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -40.06 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.587 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -110.04 44.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.474 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.463 ' CG ' ' HA ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.01 166.15 29.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.445 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 47.79 72.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 m 63.46 150.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.463 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 13.9 p-10 -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.94 -59.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.13 -179.84 46.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.01 100.31 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.63 123.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 58.69 175.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.6 118.06 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.513 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -79.04 -53.5 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 90' ' ' HIS . 1.3 mmt85 -32.6 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.3 mp -143.38 135.71 27.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.2 m -92.07 133.49 35.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.409 ' SG ' ' OG ' ' A' ' 46' ' ' SER . 17.1 m -129.17 151.34 77.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 108.313 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.98 129.15 12.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -174.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.38 -21.08 62.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -27.65 67.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -111.34 78.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' SER . 1.6 m-85 -175.19 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.8 tt0 88.75 141.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.414 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? -59.19 -175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.632 ' CE1' ' CB ' ' A' ' 54' ' ' ALA . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.444 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.543 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.482 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.543 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.482 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 -42.81 -28.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 11.5 t60 -43.54 -31.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 125' ' ' SER . 1.8 tm? -95.97 -53.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 124' ' ' LEU . 1.6 t 80.04 -68.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' ARG . 0.2 OUTLIER 170.61 158.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' SER . 3.8 ptt-85 36.06 52.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m 63.83 149.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' A' ' 131' ' ' SER . 0.4 OUTLIER -80.55 177.15 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.83 65.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 129' ' ' HIS . 0.4 OUTLIER 54.64 171.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.023 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -156.46 168.61 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.04 -53.08 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.46 ' O ' ' CG2' ' A' ' 128' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -91.17 120.42 32.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.62 -120.04 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -128.77 143.62 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.14 158.59 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -29.61 54.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.18 -28.87 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' MET . 6.8 ttm -76.92 -46.68 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.05 -32.86 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 6.9 ttm180 -52.47 -39.01 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.493 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.9 ptt? -94.42 -38.58 10.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.493 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.566 HD11 ' CZ ' ' A' ' 112' ' ' PHE . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.476 HG22 ' CE ' ' A' ' 113' ' ' LYS . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.532 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.441 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.579 ' CE2' HG23 ' A' ' 67' ' ' ILE . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.472 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD21 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.562 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.502 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.452 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.562 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 54.95 63.42 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -145.81 20.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.06 -175.35 29.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.87 -35.28 59.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ILE . 5.3 m-80 -44.17 -29.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.579 HG23 ' CE2' ' A' ' 24' ' ' TYR . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.439 HG22 ' N ' ' A' ' 71' ' ' SER . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 70' ' ' VAL . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.11 15.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.98 113.7 3.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.48 -67.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' PRO . 13.8 t -165.7 137.98 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -48.15 -51.54 24.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.33 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.89 60.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 140.01 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 65.61 149.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 73.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 13.0 t-160 -84.06 50.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -93.8 6.22 49.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 178.61 148.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.6 p -80.5 -77.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 39.4 t 65.43 135.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 108.288 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 161.06 39.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -83.21 163.38 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 95.54 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -162.95 -64.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -70.35 62.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.9 m-85 -147.11 -45.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER 86.02 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -71.65 169.11 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 54' ' ' ALA . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.549 HD21 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.576 ' CE2' HD13 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.532 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 ' CD2' ' HG2' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD13 ' CE2' ' A' ' 112' ' ' PHE . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.459 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.559 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 -40.45 -41.07 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 120' ' ' ILE . 3.9 t60 -41.31 -37.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.65 -58.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.93 67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 m 41.19 85.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -166.62 148.17 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -150.81 149.44 29.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -111.77 123.86 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.31 101.11 0.93 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.6 p -168.82 108.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -136.48 -61.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.02 -56.81 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.99 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.488 0.185 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -137.43 68.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.09 175.13 1.04 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 158.65 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.07 150.87 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -7.7 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 10' ' ' ARG . 1.4 t-160 -84.48 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 ptm -44.73 -39.08 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.74 -34.64 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 7' ' ' HIS . 44.3 ttp180 -50.96 -21.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 52.5 mtm -86.0 -69.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.456 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.49 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' CD2' HD11 ' A' ' 56' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.466 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 83.25 -64.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.1 p -67.17 69.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -158.71 -166.44 17.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -46.37 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.497 ' ND2' ' CE1' ' A' ' 24' ' ' TYR . 6.7 m120 -59.68 -16.23 25.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.562 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.562 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.01 40.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.08 9.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.16 -63.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 84' ' ' ALA . 7.2 p30 -177.79 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.408 ' N ' ' OD1' ' A' ' 83' ' ' ASN . . . 177.64 74.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.59 -83.19 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -50.27 158.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -39.98 138.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mttt -171.22 166.67 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -169.86 -173.59 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' HIS . 68.7 mtt180 37.99 36.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.5 mt -84.35 115.41 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.471 ' CG2' ' N ' ' A' ' 94' ' ' CYS . 2.6 m -158.74 -100.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.471 ' N ' ' CG2' ' A' ' 93' ' ' THR . 2.0 t 65.06 139.93 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -101.71 157.26 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.39 75.64 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -142.5 -47.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 80.1 p -69.19 69.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 99' ' ' SER . 66.7 m-85 -162.38 -165.04 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 14.0 pt-20 -137.4 -165.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 3.4 mmpt? -108.24 153.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.54 ' CE2' HD21 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.44 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB2' ' CB ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.412 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.543 ' CD2' ' CG2' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.486 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CZ3' ' A' ' 45' ' ' TRP . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 -37.68 -31.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 121' ' ' HIS . 65.9 t60 -38.87 -44.23 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.401 ' HB2' ' CE ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -98.84 -49.24 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 m 64.84 179.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m 61.68 116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 69.27 126.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 173.04 -38.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.05 166.86 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.8 -111.67 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.8 p 60.65 162.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 -61.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -158.02 163.6 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.494 0.188 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.02 107.64 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.65 47.59 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -145.51 127.82 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 62.5 124.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.0 -18.62 32.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -89.86 -45.78 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.578 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.5 ttp -53.41 -40.01 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 6' ' ' ARG . 2.0 pt -52.91 -34.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -91.7 -23.04 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.439 ' SD ' ' CD1' ' A' ' 15' ' ' ILE . 9.2 tmm? -68.42 -63.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.478 HG23 ' CG ' ' A' ' 113' ' ' LYS . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' CD1' ' HG2' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CB ' ' HB2' ' A' ' 113' ' ' LYS . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.411 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.616 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.471 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.43 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.402 HG21 ' HA ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.499 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 80' ' ' PRO . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.534 ' HB1' ' CZ ' ' A' ' 108' ' ' PHE . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 HD23 ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 73.46 42.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.2 p -90.38 -23.88 20.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 90.42 -178.34 42.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 2.5 t30 77.34 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 -96.97 -15.51 21.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.559 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.495 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 71' ' ' SER . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.495 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.475 ' HG2' ' CD1' ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.497 ' CB ' ' O ' ' A' ' 71' ' ' SER . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.5 Cg_endo -74.94 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -31.38 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -83.94 52.43 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 16.2 t-20 -83.15 -57.08 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.424 ' CB ' ' O ' ' A' ' 83' ' ' ASN . . . 168.28 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.44 -174.64 22.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -46.2 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.69 27.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.73 52.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -59.42 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.427 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 3.0 t-160 -78.32 -136.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.427 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 68.76 -70.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 131.03 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.9 m -66.14 121.71 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.8 m -117.01 156.12 48.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 18.5 Cg_endo -74.96 104.18 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -40.03 -91.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 m -165.84 -53.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -84.01 59.5 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -121.47 -44.42 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' OH ' ' CB ' ' A' ' 95' ' ' PRO . 31.6 m-85 -76.95 -159.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -115.98 17.45 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER 73.3 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.534 ' CZ ' ' HB1' ' A' ' 54' ' ' ALA . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.426 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' CG ' HG23 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.427 HD13 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.479 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.479 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 -47.17 -42.24 19.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.449 ' CE1' ' HE1' ' A' ' 45' ' ' TRP . 5.3 t60 -38.98 -41.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -73.93 -53.62 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.94 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.92 88.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -71.57 151.35 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.69 -59.39 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.05 127.78 3.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.11 138.81 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 169.86 23.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -154.31 -56.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -102.99 171.78 7.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.53 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.05 169.45 17.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.57 98.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -75.82 -13.36 60.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -54.2 4.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' ILE . 0.3 OUTLIER -37.98 -36.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' MET . 6.3 mm -40.08 -35.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -47.71 -53.57 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 2.2 ptt? -95.26 -33.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 HD11 ' CD2' ' A' ' 121' ' ' HIS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.518 ' CD2' ' CD2' ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.408 ' CB ' ' HB3' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 HG11 ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.414 ' CG ' HD22 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' HB3' ' CB ' ' A' ' 36' ' ' PRO . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.486 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 3.3 t-20 82.16 47.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.456 ' CB ' ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 169.29 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.23 149.57 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.8 m120 -52.94 -175.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 47.99 29.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.446 HD12 ' CB ' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 6.4 t30 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.436 HG22 ' N ' ' A' ' 71' ' ' SER . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 70' ' ' VAL . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.04 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.44 -44.04 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -72.95 57.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -83.32 71.78 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.62 156.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.43 -108.02 1.95 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.4 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -115.26 168.81 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 1.4 tt0 85.65 -45.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 109.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' LEU . 3.0 t-160 -56.88 -41.48 78.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.462 ' C ' ' CD1' ' A' ' 92' ' ' LEU . 0.3 OUTLIER -65.06 74.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' CD1' ' C ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER 62.31 159.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 4.3 m -108.86 76.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.44 142.51 82.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.54 38.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -40.6 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 98' ' ' ASP . 8.3 t -101.01 58.07 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 108.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' CYS . 9.3 m-20 167.02 67.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -161.81 58.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -147.38 -63.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 172.31 -175.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -108.46 -160.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.507 ' CE1' ' CD1' ' A' ' 51' ' ' PHE . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.474 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.586 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.602 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 -37.39 -44.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' ILE . 6.1 t60 -38.31 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.557 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.444 ' CB ' ' HE2' ' A' ' 11' ' ' MET . 1.2 tm? -50.26 -57.03 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' LEU . 1.3 m -38.46 -58.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.14 -62.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.55 -57.08 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -126.69 150.4 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -105.63 61.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.15 -167.73 29.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.5 t -160.2 105.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' SER . 1.1 mt-10 -78.77 -43.03 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 t70 60.03 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' GLU . 1.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.529 0.204 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.72 45.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.95 -103.24 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 142.53 57.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -167.59 80.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -38.85 -52.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 4.7 p80 -47.81 -58.53 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.623 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -43.71 -62.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.7 mp -44.22 -51.64 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.96 -47.22 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 mtt -63.95 -63.84 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' ' CB ' ' A' ' 74' ' ' LYS . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.495 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.456 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.565 ' CE2' HG23 ' A' ' 67' ' ' ILE . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.507 ' CG1' ' HB3' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 HD22 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.474 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 HG11 ' CB ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.48 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CZ3' ' CD ' ' A' ' 80' ' ' PRO . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.611 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.507 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.7 -69.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.411 ' O ' ' CG2' ' A' ' 61' ' ' THR . 12.0 t -69.63 62.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.55 -140.34 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -135.75 -47.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 0.808 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.508 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 21.7 m120 -61.25 -15.04 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.565 HG23 ' CE2' ' A' ' 24' ' ' TYR . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.455 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.483 HG21 ' N ' ' A' ' 71' ' ' SER . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.483 ' N ' HG21 ' A' ' 70' ' ' VAL . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.98 34.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.99 178.76 6.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.5 m -49.9 -31.02 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.4 t -60.99 -14.4 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -43.81 -69.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.36 170.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.53 -158.91 9.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.76 113.59 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.54 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.3 -54.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.55 111.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.452 ' O ' ' N ' ' A' ' 92' ' ' LEU . 9.0 t-160 -65.2 -118.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' N ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 66.3 -64.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -145.65 130.79 18.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 p -116.32 54.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 67.2 m -71.64 157.91 88.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.09 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 163.24 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -92.41 94.35 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.293 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -158.48 -45.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.438 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 44.5 t -70.32 61.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 99' ' ' SER . 50.4 m-85 -154.59 -168.79 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.407 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -122.64 139.74 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -58.79 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.611 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.456 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.495 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' CD2' ' HB ' ' A' ' 120' ' ' ILE . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.532 ' O ' ' CB ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.507 ' HB ' ' CD2' ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 -49.12 -31.37 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -44.86 -48.52 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 124' ' ' LEU . 1.4 tm? -70.17 -53.97 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.97 108.53 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.43 165.74 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 92.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.2 p 44.89 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.51 115.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.49 84.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 p -163.15 113.08 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.83 80.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.7 t70 179.76 154.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.528 0.204 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.98 88.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.17 121.21 9.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -144.56 -67.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -50.8 108.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.54 -17.16 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.96 -49.9 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.512 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -44.02 -42.73 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.5 mt -54.27 -49.03 66.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -41.84 -67.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.464 ' CG ' ' N ' ' A' ' 12' ' ' ARG . 13.6 ptt? -68.0 -49.67 60.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 8' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.581 ' CE1' ' CG ' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.461 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.476 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 45' ' ' TRP . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.445 ' CD1' ' C ' ' A' ' 56' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 75.48 53.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -113.87 -11.86 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.52 -163.0 44.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.85 -78.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.581 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -110.69 27.75 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.529 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.492 ' O ' HG21 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.443 ' N ' ' C ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.529 ' CG1' ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 112' ' ' PHE . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.68 14.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.06 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.69 -44.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.2 t -80.69 70.92 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -79.1 -51.58 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.39 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' ARG . . . -121.55 51.68 0.78 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.2 ttm180 82.9 115.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 56.55 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 69.83 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 111.98 20.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.564 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 11.2 t-160 -115.15 46.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -95.11 4.7 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.0 m -132.14 110.53 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.89 149.51 43.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.45 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.01 156.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 60.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.51 -46.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -84.51 53.08 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.2 m-85 -148.86 -44.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 2.7 tt0 87.18 144.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -54.72 179.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.473 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.573 ' CD2' HD21 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.473 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 75' ' ' LEU . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.481 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.476 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.453 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.525 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.475 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.525 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 -37.58 -33.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' HIS . 3.4 t-160 -47.38 -48.47 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 125' ' ' SER . 0.1 OUTLIER -39.9 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -153.49 106.13 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -178.4 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -179.54 68.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -61.43 138.3 58.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -89.55 -63.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 122.39 -123.47 5.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.3 168.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 37.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.65 -58.23 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 133.32 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.52 -62.94 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 51.69 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' HIS . 4.1 m-20 -108.22 130.31 55.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' ASP . 49.0 m80 -87.9 -54.58 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -28.22 58.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -88.37 -25.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -53.15 -37.57 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.469 ' O ' ' CD1' ' A' ' 15' ' ' ILE . 4.6 ptt? -93.31 -44.8 8.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.547 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.469 ' CD1' ' O ' ' A' ' 11' ' ' MET . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.547 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.487 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.487 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 21' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' ASP . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.482 ' CB ' HD13 ' A' ' 92' ' ' LEU . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.503 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.476 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' CB ' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 72' ' ' ILE . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 72.66 -65.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 t -69.61 61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.57 -127.9 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.88 -46.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 -84.97 47.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.544 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.456 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.502 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.544 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.502 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' O ' ' C ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.69 42.76 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' SER . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 38.64 63.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.402 ' O ' ' CG ' ' A' ' 83' ' ' ASN . 55.2 m 39.06 54.56 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HB3' ' CG ' ' A' ' 45' ' ' TRP . 2.3 p30 41.76 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.29 135.53 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.84 -64.53 3.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -147.15 -55.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -75.15 169.33 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 5.1 tp60 -39.31 -66.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 3.9 tmtm? 86.05 -47.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.3 t60 67.69 120.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.646 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.07 38.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 40.69 -136.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -72.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 137.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 108.243 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.03 19.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.9 p -62.05 140.88 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.574 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 1.6 m -77.58 60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -132.72 -49.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.02 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.574 ' CD1' ' HA ' ' A' ' 97' ' ' CYS . 15.5 m-85 -114.2 -86.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 175.75 165.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -96.87 148.23 23.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CD2' HD23 ' A' ' 33' ' ' LEU . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.487 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.476 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.494 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.441 ' C ' ' O ' ' A' ' 114' ' ' SER . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.484 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.581 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.581 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 -34.85 -40.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 120' ' ' ILE . 11.4 t60 -38.95 -41.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.44 -57.55 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 96.04 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.07 90.23 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 150.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 8.6 m 62.91 53.65 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.363 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.95 152.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.12 129.88 0.66 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 m 62.88 108.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.43 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -61.77 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.87 87.37 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.66 73.68 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.11 139.99 44.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 62.93 152.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.67 -25.46 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -30.69 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 3.6 ptt? -42.16 -32.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' N ' ' HG3' ' A' ' 8' ' ' MET . 7.6 tt -46.82 -56.24 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.64 -33.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.61 -69.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.562 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.546 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' C ' ' N ' ' A' ' 26' ' ' ASN . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' HA ' ' CG ' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CB ' ' HB3' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 40' ' ' GLU . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 120' ' ' ILE . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.412 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.468 ' CD1' ' HG ' ' A' ' 21' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD21 ' A' ' 56' ' ' LEU . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.456 ' OG ' ' CG2' ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 73.64 49.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 t -131.02 21.81 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 64' ' ' ASN . . . 63.59 -143.34 47.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -72.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.421 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 4.2 m-80 -131.47 40.88 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.621 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 HG13 ' CD2' ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.621 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 71' ' ' SER . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.481 ' O ' ' CE2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 m -40.69 -60.91 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -68.1 81.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -80.15 -51.11 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.05 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.43 -122.38 1.38 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.65 86.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.78 -60.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -47.81 -55.98 8.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 93.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.444 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 2.5 t-160 -133.93 -172.29 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.444 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 67.39 8.24 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 179.47 132.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -89.67 55.97 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 136.83 19.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.89 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.42 175.34 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 68.52 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -127.94 -54.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.511 ' CG ' ' HA ' ' A' ' 36' ' ' PRO . 18.5 m-85 -61.69 -177.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -144.07 178.47 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.03 -178.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.431 ' O ' ' C ' ' A' ' 106' ' ' LYS . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.491 HD22 ' CD2' ' A' ' 108' ' ' PHE . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.513 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.433 ' CD1' ' C ' ' A' ' 115' ' ' LEU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.562 ' CD1' ' CD1' ' A' ' 15' ' ' ILE . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.561 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 -45.84 -35.29 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 122' ' ' GLN . 30.2 t60 -39.34 -49.9 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -56.14 -57.14 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -60.98 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.1 t 67.55 76.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -172.37 131.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.6 m 57.82 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -143.17 63.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 57.89 114.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.21 92.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.57 159.45 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.55 107.93 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -42.54 -49.03 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.2 -53.97 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -49.99 143.67 7.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -114.96 138.39 50.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.32 -22.05 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ARG . 11.2 m-70 -89.12 -65.83 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.482 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -41.63 -27.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.4 pp -87.28 -45.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.414 ' N ' ' O ' ' A' ' 7' ' ' HIS . 9.1 ttp180 -45.9 -47.1 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.482 ' CE ' ' HA ' ' A' ' 8' ' ' MET . 0.0 OUTLIER -64.52 -71.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ILE . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.509 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.509 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.48 ' CD2' HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.425 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.654 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.495 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.581 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.482 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.402 ' HB2' ' CD1' ' A' ' 92' ' ' LEU . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.515 ' SG ' ' CG1' ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG2' ' CD2' ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.555 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.532 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 55.41 63.59 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -149.46 24.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.64 179.15 31.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -77.11 -34.12 56.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 9.1 m-20 -53.77 -20.68 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' N ' ' C ' ' A' ' 64' ' ' ASN . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.537 HG23 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HG23 ' CB ' ' A' ' 58' ' ' SER . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.424 HG23 ' N ' ' A' ' 71' ' ' SER . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -74.98 175.09 11.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.555 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.01 -85.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' THR . 26.1 m -83.87 57.34 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' SER . 17.2 m 34.7 76.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.6 t30 68.19 -66.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -132.69 -48.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.81 90.34 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.91 -174.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 154.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.25 103.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -40.72 -36.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.8 t-160 69.44 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.537 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 83.3 mtt-85 -60.84 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.537 ' CD1' ' O ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER 43.57 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.9 p -87.64 -176.48 5.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.75 144.87 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 127.79 11.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -172.78 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 100' ' ' TYR . 3.4 m -88.85 97.02 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 178.27 -41.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -57.01 -26.34 60.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 36' ' ' PRO . 12.5 p90 -123.92 148.59 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -163.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -84.01 -161.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.532 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.454 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.474 ' CD2' ' HG2' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.434 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.473 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.473 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 -35.21 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' HIS . 11.1 t-80 -39.69 -45.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.622 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.25 -46.75 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.36 106.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 t -161.03 -65.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.84 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.5 m -162.07 61.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 175.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -116.18 -109.07 2.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.27 168.83 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -111.33 118.12 34.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -54.06 -50.77 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.465 0.174 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.65 107.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.73 -140.8 3.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.82 81.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 69.38 94.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -52.06 -44.87 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -53.83 -54.74 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttm -40.82 -53.72 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.1 mt -43.58 -53.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -60.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm -47.52 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.478 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.465 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.575 ' CE2' HG21 ' A' ' 67' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' C ' ' N ' ' A' ' 27' ' ' ASP . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.453 ' HG ' ' CB ' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.471 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.487 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.487 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' CYS . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.659 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.419 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 58' ' ' SER . 2.0 m120 59.45 45.67 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -139.44 22.56 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.35 176.43 26.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.41 -31.63 48.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.43 ' CA ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 -58.47 -17.13 18.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.522 ' O ' ' CG1' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.575 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.41 ' N ' ' C ' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.455 ' HA ' ' CD1' ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.522 ' CG1' ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.455 ' CD1' ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HB3' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.46 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 113.13 3.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.5 Cg_endo -74.95 169.69 22.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 56.93 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 80' ' ' PRO . 56.0 m -55.33 -68.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.46 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 8.0 m120 67.89 -68.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.422 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 59.31 -171.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.37 -59.59 3.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -46.95 14.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.12 -62.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -179.82 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 85.27 29.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 14.8 t-160 53.3 36.89 23.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.652 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.58 106.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mp -61.16 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ARG . 3.1 m 50.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.4 m -174.98 138.9 0.6 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -67.55 169.69 8.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 t -101.84 108.65 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 170.43 -39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.81 105.66 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -155.71 -82.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.87 158.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -98.82 158.9 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.466 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.659 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.466 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.478 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.54 HD12 ' CE1' ' A' ' 51' ' ' PHE . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.409 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.479 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 -48.48 -36.63 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -39.35 -42.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -51.7 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.98 110.53 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.13 156.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.19 111.66 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -85.1 -61.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.15 162.52 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 157.0 140.91 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 91.8 p -167.11 140.48 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 66.43 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -118.23 107.01 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.43 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.89 70.53 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -176.59 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' HIS . 6.6 m-20 -45.62 166.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -38.84 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' NE2' ' NH2' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -48.08 -51.9 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' ILE . 11.5 ttt -64.96 -61.37 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.465 HG22 ' CG ' ' A' ' 13' ' ' GLN . 2.9 mp -40.15 -35.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -40.17 -56.38 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.542 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -95.29 -28.28 15.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' CG ' HG22 ' A' ' 9' ' ' ILE . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.471 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.426 ' CD1' ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.461 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.447 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.577 ' CE2' HG22 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.453 ' CD2' HD11 ' A' ' 56' ' ' LEU . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.567 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.446 ' CB ' HD11 ' A' ' 92' ' ' LEU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 46' ' ' SER . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' CB ' ' HB2' ' A' ' 119' ' ' MET . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' CYS . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.453 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.97 60.27 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.71 30.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -165.95 158.26 31.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 65' ' ' GLU . 8.3 t-20 -55.35 -48.49 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -41.77 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 63' ' ' ASN . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' N ' ' C ' ' A' ' 64' ' ' ASN . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.577 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 69' ' ' ASN . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' N ' HG22 ' A' ' 68' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.468 HG21 ' N ' ' A' ' 71' ' ' SER . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.468 ' N ' HG21 ' A' ' 70' ' ' VAL . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.02 50.67 2.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' THR . 0.1 OUTLIER 68.07 -62.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' PRO . 1.2 t -34.04 -53.81 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.512 HD21 ' N ' ' A' ' 84' ' ' ALA . 2.3 p-10 45.97 -172.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.512 ' N ' HD21 ' A' ' 83' ' ' ASN . . . 168.76 163.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 65.72 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.9 -61.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -112.89 -72.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.7 175.02 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 101.31 4.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 1.0 OUTLIER -46.45 -60.63 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.575 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' HIS . 11.0 mtt180 -31.66 -65.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 HD11 ' CB ' ' A' ' 42' ' ' ASN . 1.2 mp -141.5 125.13 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.3 m -48.74 -69.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.11 138.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.84 38.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.96 -173.8 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.3 m -96.62 83.99 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.07 -54.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.4 t -58.94 -55.87 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CD2' ' HA ' ' A' ' 36' ' ' PRO . 13.3 m-85 -40.54 -41.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' LYS . 28.9 tt0 65.0 77.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.489 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 42.67 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.567 ' CE2' HD21 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.461 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.482 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 114' ' ' SER . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.467 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.486 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.542 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.3 t-80 -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 -36.92 -43.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -40.19 -56.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 10.9 mp -50.9 -52.21 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 m -57.55 -65.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -97.41 101.54 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . 0.505 ' NH2' ' NE2' ' A' ' 7' ' ' HIS . 6.0 ttt180 -112.23 1.73 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 p -78.01 55.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -106.21 -79.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.92 -64.56 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 p 63.1 114.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -112.1 117.88 33.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.67 114.5 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -157.71 81.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 135.74 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -122.76 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.485 ' CB ' ' HB2' ' A' ' 8' ' ' MET . 3.0 m-20 -52.19 129.71 28.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -91.31 -29.56 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 t-160 -82.29 -62.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.485 ' HB2' ' CB ' ' A' ' 5' ' ' ASP . 10.4 mtp -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -86.72 -46.5 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 7' ' ' HIS . 4.5 ttm180 -57.69 -31.48 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.484 ' HB3' ' CG2' ' A' ' 120' ' ' ILE . 0.1 OUTLIER -87.8 -36.99 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 11' ' ' MET . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.504 ' O ' ' CG2' ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.578 ' CE2' HG22 ' A' ' 67' ' ' ILE . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.482 ' CD2' HD23 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.568 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.484 ' CG2' ' HG3' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CG2' ' A' ' 39' ' ' VAL . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.502 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.458 HD11 ' CD2' ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 52.3 72.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.66 4.96 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 89.76 109.99 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 3.4 m-20 156.27 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.482 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 20.5 m-20 -97.12 -14.8 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 64' ' ' ASN . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.578 HG22 ' CE2' ' A' ' 24' ' ' TYR . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' N ' HG23 ' A' ' 70' ' ' VAL . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.33 16.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.537 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -167.03 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.33 -54.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' A' ' 82' ' ' THR . 9.0 t -74.81 81.84 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -79.94 -57.0 3.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 71.85 125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.44 -61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -49.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -47.47 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -44.63 124.88 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -42.33 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 5.8 t-160 70.46 -59.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.452 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 7.9 mmt180 -65.45 70.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 62.37 135.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -113.28 94.6 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.441 ' SG ' ' OG ' ' A' ' 46' ' ' SER . 4.2 m -56.27 151.83 25.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.0 76.53 3.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' PRO . 2.6 m 58.1 157.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.056 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -54.44 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.79 83.25 1.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 m -154.67 40.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 45.2 m-85 -129.91 -61.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.2 tt0 164.11 138.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -57.15 -161.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.418 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.445 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.568 ' CD2' HD23 ' A' ' 33' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.515 HD22 ' CD2' ' A' ' 108' ' ' PHE . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.502 ' CD2' ' HB3' ' A' ' 51' ' ' PHE . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.483 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.491 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.425 ' C ' ' N ' ' A' ' 123' ' ' HIS . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.491 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.6 pt20 -40.69 -28.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 121' ' ' HIS . 8.2 t-160 -42.68 -50.46 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.82 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.4 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.6 120.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -151.48 177.68 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 2.6 t -93.41 20.71 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -113.13 -49.15 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.86 118.14 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -102.27 131.26 48.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.87 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -40.49 136.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.7 172.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.43 152.89 22.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -141.74 146.0 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.19 146.67 22.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -20.08 57.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -88.23 -31.89 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.24 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -83.75 -30.84 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -47.24 -40.16 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.589 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 0.5 OUTLIER -94.07 -28.98 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.472 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' HA ' ' CG1' ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 22' ' ' LYS . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD22 ' CD1' ' A' ' 56' ' ' LEU . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.467 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' O ' ' CA ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.518 ' CG1' ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.457 ' CB ' HD13 ' A' ' 92' ' ' LEU . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.518 ' SG ' ' CG1' ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HB3' ' CD1' ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.65 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 72' ' ' ILE . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 59' ' ' ALA . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 154.59 -51.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.3 -14.89 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.74 143.4 18.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.11 -45.97 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.457 ' N ' ' OD2' ' A' ' 27' ' ' ASP . 4.3 m120 -61.01 -14.78 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 64' ' ' ASN . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.554 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.444 ' CG1' HD22 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.554 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.512 ' CD1' ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.523 ' NH2' ' CE2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 116.1 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t 61.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.044 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' A' ' 82' ' ' THR . 9.9 t -122.66 78.28 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -40.64 -46.32 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 68.56 168.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.21 82.61 1.68 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -169.66 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 3.4 ptt180 37.06 77.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 2.7 tt0 83.87 159.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.04 85.07 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -53.39 -44.94 69.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.468 ' C ' ' O ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -33.6 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.457 HD13 ' CB ' ' A' ' 42' ' ' ASN . 1.6 mp -141.93 -177.41 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 p -77.47 128.66 34.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 t -175.43 136.21 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.83 30.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.8 m -81.23 -178.64 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 106.69 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 170.61 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 p -57.28 -36.5 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -82.54 178.27 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -108.95 -75.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' CD ' ' HA ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER -175.35 -158.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.483 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.472 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.443 ' CD1' ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.475 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.444 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.3 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.475 ' HB ' ' O ' ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 -38.43 -39.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 25.0 t60 -39.54 -47.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.558 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.56 -51.82 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.57 -74.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.77 179.66 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -72.54 165.52 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -73.59 100.18 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -53.17 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.31 -173.37 55.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.52 158.37 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.65 -66.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -139.48 147.1 40.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.77 -61.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.19 -78.35 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -78.57 138.09 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 7' ' ' HIS . 20.7 t70 -88.66 105.25 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' HA ' ' CD1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.97 -39.52 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -54.24 -69.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' ILE . 2.2 ttm -38.8 -57.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 6' ' ' ARG . 7.7 mt -38.48 -40.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 7' ' ' HIS . 21.9 tpp180 -43.84 -58.24 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.6 ptp -90.36 -33.94 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.518 ' CG1' ' HB2' ' A' ' 113' ' ' LYS . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.474 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.429 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.429 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.46 HD21 ' CE2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB2' ' CG1' ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG1' ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' CYS . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.592 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 77.85 35.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.404 ' HB ' ' O ' ' A' ' 60' ' ' ASN . 10.7 t -176.44 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.11 -87.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.7 -64.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.536 ' HB3' ' CG2' ' A' ' 67' ' ' ILE . 0.4 OUTLIER -73.0 58.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.536 ' CG2' ' HB3' ' A' ' 64' ' ' ASN . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.486 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.461 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 70' ' ' VAL . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 113.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.2 Cg_endo -75.09 -174.8 2.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.812 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t 66.37 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 80' ' ' PRO . 9.3 t -144.22 70.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.427 ' O ' ' CB ' ' A' ' 84' ' ' ALA . 1.5 p-10 -40.12 -50.56 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 83' ' ' ASN . . . 166.75 44.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.65 -136.74 17.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -110.02 -70.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -55.5 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -121.54 100.24 6.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.36 131.63 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -105.0 -169.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 64.45 11.0 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.6 pp 176.59 138.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.6 p -117.77 47.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.7 m -67.83 145.4 97.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 p -162.03 168.84 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.28 59.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 108.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.25 -46.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -44.0 -31.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.3 -171.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -113.02 146.04 39.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -60.93 170.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.452 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.592 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' CD2' ' O ' ' A' ' 105' ' ' PRO . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.518 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 114' ' ' SER . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.418 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.561 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.483 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.561 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.483 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 -43.51 -35.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -26.02 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.2 pp -79.82 -36.52 36.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' GLN . 82.4 p -93.26 -175.27 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.4 81.52 1.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.86 144.47 2.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 t -97.88 144.05 27.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 149.68 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.59 162.29 21.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 165.58 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -68.02 148.62 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t0 175.58 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.545 0.212 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -145.88 155.27 42.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.26 144.68 12.83 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.54 -67.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.65 159.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -23.89 30.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -83.78 -50.73 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttp -49.6 -43.97 46.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -71.01 -43.36 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.1 ttm180 -44.99 -42.41 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.457 ' CE ' ' HA ' ' A' ' 121' ' ' HIS . 29.9 mtp -58.14 -65.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 14' ' ' LEU . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.525 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.483 ' CD1' ' HG ' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.592 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.443 HG22 ' CD1' ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.418 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.454 ' CD2' HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.521 HD22 ' CE2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' CG ' HD22 ' A' ' 115' ' ' LEU . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 108' ' ' PHE . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.418 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 62' ' ' GLY . 12.3 m-20 72.61 -60.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p -66.15 73.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -156.34 -143.28 3.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -124.73 -49.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.592 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 1.5 p30 -84.48 47.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.581 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.444 ' N ' ' CG2' ' A' ' 67' ' ' ILE . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.581 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.433 ' N ' HG21 ' A' ' 70' ' ' VAL . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.462 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.427 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.06 174.09 13.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.569 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.5 Cg_endo -74.94 65.41 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m 43.91 49.3 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 82' ' ' THR . 8.7 t -173.55 55.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.427 ' HB3' ' CG ' ' A' ' 79' ' ' PRO . 1.8 p30 -59.79 -55.19 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 68.07 128.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.65 39.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 8.0 ttt-85 179.09 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' CG ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 32.94 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 87' ' ' ARG . 2.0 mt-30 34.96 72.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.463 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 7.2 tmtt? -159.11 144.34 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 3.0 t-160 -121.81 -142.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.441 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 2.3 ttt-85 76.56 -53.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 94' ' ' CYS . 0.4 OUTLIER -143.22 125.25 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -60.64 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 7.6 m -137.96 131.13 16.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -72.45 132.9 44.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.7 t -79.81 -38.97 31.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.96 -21.58 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.18 79.86 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.92 -82.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 179.53 -178.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -108.21 -162.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.526 ' CD2' HD23 ' A' ' 109' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.526 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.505 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.481 HD22 ' CG ' ' A' ' 44' ' ' GLU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.435 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.579 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.473 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.579 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.473 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 15.4 pt20 -46.96 -46.41 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' GLN . 17.6 t-80 -38.83 -48.14 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.48 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 122' ' ' GLN . 3.2 t -50.92 -64.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.37 -56.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 63.49 92.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 65.2 p -69.57 97.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.31 -64.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.37 73.83 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.8 p -174.15 137.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.39 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.04 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -136.12 163.34 30.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.35 -177.29 22.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -178.13 117.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -137.73 136.76 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -50.29 -27.93 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . 89.4 m-70 -73.06 -68.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.89 -53.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 mt -39.89 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -45.21 -61.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.437 ' HG3' ' N ' ' A' ' 12' ' ' ARG . 3.9 ptt? -76.81 -35.6 57.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' O ' ' CG2' ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.499 HD13 ' CD1' ' A' ' 116' ' ' LEU . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.522 ' CG2' ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 22' ' ' LYS . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.471 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.411 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.486 ' HA ' ' CD1' ' A' ' 28' ' ' LEU . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.486 ' CD1' ' HA ' ' A' ' 25' ' ' VAL . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.504 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.504 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.481 ' HB2' ' CG ' ' A' ' 119' ' ' MET . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CH2' HG13 ' A' ' 120' ' ' ILE . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 84' ' ' ALA . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.58 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.596 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.43 ' HG ' ' CD1' ' A' ' 21' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.446 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 76.67 18.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 12.3 p -57.6 -31.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -36.7 3.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.17 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.431 ' O ' ' CD1' ' A' ' 68' ' ' ILE . 0.8 OUTLIER -102.82 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.592 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.592 ' CG2' ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.57 14.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.577 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.05 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.5 p -128.77 -50.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 82' ' ' THR . 12.8 t -70.09 58.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' SER . 61.6 t-20 -68.87 -48.81 62.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . . . 63.62 134.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.88 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER 58.85 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.47 163.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -46.02 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -122.88 -46.14 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.498 ' O ' ' C ' ' A' ' 91' ' ' ARG . 1.4 t-160 67.61 -63.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 90' ' ' HIS . 20.5 mtp180 -30.68 -64.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' C ' ' A' ' 91' ' ' ARG . 1.2 mp -141.62 -150.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.5 t -128.39 59.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 137.74 20.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.75 38.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.4 OUTLIER -97.06 159.99 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.03 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' SER . 2.9 t0 -173.36 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -88.56 77.77 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 99' ' ' SER . 67.9 m-85 -162.62 -167.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -129.79 126.07 37.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.428 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -45.39 155.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 106' ' ' LYS . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.596 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.421 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.429 ' CD1' ' HG2' ' A' ' 44' ' ' GLU . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.507 ' O ' ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . 0.578 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 -47.09 -31.64 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 8.1 t60 -57.15 -53.02 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.8 mp -50.56 -48.77 57.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.3 OUTLIER -77.38 157.06 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 125' ' ' SER . 2.7 t 82.45 -67.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.09 113.24 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.9 t -120.51 149.22 42.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -162.04 -57.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.54 64.08 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.1 p -153.04 83.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.35 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 135.94 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 19.6 mtp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' MET . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.758 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.953 HG11 ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 HD22 ' A' ' 28' ' ' LEU . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.761 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.0 m120 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.976 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.758 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.725 ' CD2' HD23 ' A' ' 33' ' ' LEU . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.831 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.953 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' MET . 16.7 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 15' ' ' ILE . 24.0 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.482 0.182 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' HD13 ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' HD3' ' A' ' 77' ' ' ARG . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 11' ' ' MET . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.639 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.691 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 21' ' ' LEU . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.89 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.785 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' HG13 ' A' ' 120' ' ' ILE . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 36' ' ' PRO . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.803 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 67' ' ' ILE . 15.6 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.864 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.792 HG13 HD23 ' A' ' 21' ' ' LEU . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.567 ' HD3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.89 ' CD2' HD23 ' A' ' 33' ' ' LEU . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.872 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 44' ' ' GLU . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.971 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.9 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.525 0.202 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.971 HD12 ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 74' ' ' LYS . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.87 ' HB3' HD11 ' A' ' 68' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.849 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.78 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.722 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.72 ' OE1' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.797 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.612 HD21 HD22 ' A' ' 28' ' ' LEU . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' VAL . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.685 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.758 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.573 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.8 t-160 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 9.3 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.5 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.492 0.187 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 17' ' ' ILE . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 11' ' ' MET . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.51 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG22 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.98 HD22 HD21 ' A' ' 56' ' ' LEU . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' O ' HD21 ' A' ' 33' ' ' LEU . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.98 HD21 HD22 ' A' ' 28' ' ' LEU . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.519 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.704 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.596 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 72' ' ' ILE . 17.8 t-20 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 69' ' ' ASN . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 33' ' ' LEU . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.827 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.873 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 44' ' ' GLU . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.776 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 11' ' ' MET . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.527 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 21' ' ' LEU . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.644 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.526 HG22 ' OD1' ' A' ' 42' ' ' ASN . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 41' ' ' THR . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.564 ' SG ' HG12 ' A' ' 39' ' ' VAL . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.841 ' O ' HD11 ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CH2' HG13 ' A' ' 120' ' ' ILE . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 28' ' ' LEU . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.772 ' N ' HD13 ' A' ' 56' ' ' LEU . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.527 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m120 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.774 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.777 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.821 HG13 HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.85 ' CD2' HD23 ' A' ' 33' ' ' LEU . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.757 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.965 ' HA ' HD12 ' A' ' 116' ' ' LEU . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.965 HD12 ' HA ' ' A' ' 113' ' ' LYS . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.56 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 52.5 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.488 0.185 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.726 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.883 HG13 HD12 ' A' ' 109' ' ' LEU . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.925 ' O ' HG23 ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 21' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.741 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.939 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.545 ' HB3' HG22 ' A' ' 67' ' ' ILE . 6.7 m120 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.916 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.76 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.962 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 18' ' ' VAL . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.76 ' CE2' HD12 ' A' ' 75' ' ' LEU . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.589 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 15' ' ' ILE . 9.2 tmm? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.491 0.186 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 11' ' ' MET . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.789 HD13 ' CB ' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.706 HG13 HD12 ' A' ' 109' ' ' LEU . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.619 ' CE2' HG21 ' A' ' 67' ' ' ILE . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.988 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD13 ' A' ' 33' ' ' LEU . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' ' HD1' ' A' ' 108' ' ' PHE . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HA ' HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.492 ' O ' HD21 ' A' ' 33' ' ' LEU . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.836 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.817 ' N ' HD13 ' A' ' 56' ' ' LEU . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.745 ' O ' HG13 ' A' ' 70' ' ' VAL . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.852 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.864 HG13 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.789 ' CB ' HD13 ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 112' ' ' PHE . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.821 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 113' ' ' LYS . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 15.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.463 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.542 0.211 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 109' ' ' LEU . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.693 ' O ' HG13 ' A' ' 25' ' ' VAL . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 22' ' ' LYS . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.05 ' CD2' HD21 ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.013 HD21 HD22 ' A' ' 28' ' ' LEU . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.611 ' H ' HD22 ' A' ' 56' ' ' LEU . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 3.3 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.807 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.714 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 21.2 t-20 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 67' ' ' ILE . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.705 ' CD2' HD23 ' A' ' 33' ' ' LEU . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.86 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.843 ' HA ' HD12 ' A' ' 116' ' ' LEU . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.612 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.612 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.9 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.934 HG13 HD12 ' A' ' 109' ' ' LEU . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' N ' HD13 ' A' ' 21' ' ' LEU . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.721 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.023 HD22 HD21 ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.6 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' HG22 ' A' ' 41' ' ' THR . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CH2' HG13 ' A' ' 120' ' ' ILE . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.789 ' O ' HG12 ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' HG21 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' CA ' HG22 ' A' ' 67' ' ' ILE . 72.0 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.682 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.902 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.86 HG13 HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ILE . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.683 ' CD2' HD23 ' A' ' 33' ' ' LEU . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.934 HD12 HG13 ' A' ' 18' ' ' VAL . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.573 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.626 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.737 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.494 ' O ' HD12 ' A' ' 15' ' ' ILE . 13.6 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.489 0.185 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 11' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 18' ' ' VAL . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 11' ' ' MET . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG23 HD12 ' A' ' 28' ' ' LEU . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.982 HD22 HD21 ' A' ' 56' ' ' LEU . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.713 ' HB3' HD11 ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' HE1' HD21 ' A' ' 116' ' ' LEU . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.982 HD21 HD22 ' A' ' 28' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.829 ' H ' HD22 ' A' ' 56' ' ' LEU . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.494 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.624 ' ND2' ' CE1' ' A' ' 24' ' ' TYR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 1.088 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 58' ' ' SER . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.088 HG13 ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 ' O ' ' A' ' 56' ' ' LEU . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' LYS . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmpt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.694 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 18' ' ' VAL . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.852 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.474 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.771 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 113' ' ' LYS . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 28' ' ' LEU . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.094 HD22 HD21 ' A' ' 56' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.69 ' SG ' HG12 ' A' ' 39' ' ' VAL . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.777 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.953 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.094 HD21 HD22 ' A' ' 28' ' ' LEU . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.616 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.856 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.509 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.839 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 115' ' ' LEU . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 14' ' ' LEU . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.5 0.19 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.653 HD11 ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.997 HG11 ' CB ' ' A' ' 113' ' ' LYS . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.593 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 68' ' ' ILE . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 21' ' ' LEU . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.896 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.805 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.727 ' SG ' HG12 ' A' ' 39' ' ' VAL . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.853 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' HG12 ' A' ' 29' ' ' VAL . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.694 ' OG ' HG21 ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.865 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 1.034 HG13 HD23 ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' ILE . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 69' ' ' ASN . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD12 ' CE2' ' A' ' 112' ' ' PHE . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.896 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.754 ' CE2' HD12 ' A' ' 75' ' ' LEU . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.997 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 44' ' ' GLU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.707 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.676 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.508 0.195 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.811 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 11' ' ' MET . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.885 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.951 ' CE2' HG21 ' A' ' 67' ' ' ILE . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.897 ' CD2' HD21 ' A' ' 56' ' ' LEU . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HG3' HD13 ' A' ' 33' ' ' LEU . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.891 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.832 ' SG ' HG12 ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.588 ' CB ' HD21 ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.541 ' CH2' HG13 ' A' ' 120' ' ' ILE . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.897 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' N ' HD13 ' A' ' 56' ' ' LEU . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.503 ' CB ' HG21 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.576 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 3.0 m120 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.675 ' O ' HG13 ' A' ' 70' ' ' VAL . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.951 HG21 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.815 HG13 HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.481 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.765 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.855 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.754 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 mtm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' MET . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.667 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.964 HG12 HD12 ' A' ' 28' ' ' LEU . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.104 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD11 ' A' ' 115' ' ' LEU . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.104 HD21 HD22 ' A' ' 28' ' ' LEU . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.784 ' H ' HD22 ' A' ' 56' ' ' LEU . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 68' ' ' ILE . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 1.034 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.519 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.688 ' HA ' HD12 ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.034 HG13 ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' A' ' 21' ' ' LEU . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 115' ' ' LEU . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.789 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.479 0.181 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 18' ' ' VAL . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.801 HD13 ' HB2' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 14' ' ' LEU . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.897 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.931 HG22 HD12 ' A' ' 28' ' ' LEU . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.931 HD12 HG22 ' A' ' 25' ' ' VAL . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.851 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.018 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 40' ' ' GLU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 1.018 ' SG ' HG12 ' A' ' 39' ' ' VAL . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.77 ' O ' HD11 ' A' ' 115' ' ' LEU . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CZ2' HD12 ' A' ' 120' ' ' ILE . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' CYS . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.851 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 115' ' ' LEU . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.642 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.85 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.823 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.52 ' HA ' HD12 ' A' ' 72' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LEU . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 69' ' ' ASN . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.801 ' HB2' HD13 ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.955 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 18' ' ' VAL . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.824 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 51' ' ' PHE . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.529 0.204 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.967 ' HB3' HD13 ' A' ' 116' ' ' LEU . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.768 HG23 ' HG3' ' A' ' 113' ' ' LYS . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HD11 HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.992 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.992 ' CD2' HD21 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.701 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.725 ' CG ' HD21 ' A' ' 115' ' ' LEU . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.812 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.501 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' VAL . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' CA ' HG22 ' A' ' 67' ' ' ILE . 4.7 m120 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.655 ' O ' HG13 ' A' ' 70' ' ' VAL . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.508 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ILE . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.419 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 109' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 116' ' ' LEU . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.967 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.493 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 2.6 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.854 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.522 0.201 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.941 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.608 ' HB3' HD11 ' A' ' 68' ' ' ILE . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 28' ' ' LEU . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 25' ' ' VAL . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 57' ' ' LYS . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.837 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.917 ' SG ' HG12 ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB3' HD11 ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.763 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.87 HD11 HD21 ' A' ' 28' ' ' LEU . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' VAL . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.565 ' HB2' HD13 ' A' ' 68' ' ' ILE . 4.3 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 58' ' ' SER . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.893 HG13 HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.61 HH11 HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.982 HD12 HG13 ' A' ' 18' ' ' VAL . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.74 ' CG ' HG23 ' A' ' 15' ' ' ILE . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' ILE . 8.6 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.54 0.21 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.572 HD13 ' HG2' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.905 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 106' ' ' LYS . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.41 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.777 ' CD2' HD11 ' A' ' 56' ' ' LEU . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.867 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' OD1' HG22 ' A' ' 41' ' ' THR . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.743 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 57' ' ' LYS . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.807 ' N ' HD13 ' A' ' 56' ' ' LEU . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.793 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.915 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.572 ' HG2' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.64 HD12 ' HE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 33' ' ' LEU . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.86 HD12 HG13 ' A' ' 18' ' ' VAL . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.831 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.816 ' O ' HD12 ' A' ' 15' ' ' ILE . 29.9 mtp . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 17' ' ' ILE . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.908 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.695 ' CB ' HD11 ' A' ' 68' ' ' ILE . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' CYS . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' PHE . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' HD11 ' A' ' 33' ' ' LEU . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.686 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.524 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.66 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 p30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.882 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.922 HG13 HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 116' ' ' LEU . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.607 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.485 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 118' ' ' LYS . 11.7 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.757 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.479 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.923 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 113' ' ' LYS . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.913 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CB ' HD11 ' A' ' 68' ' ' ILE . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 1.015 HD22 HD21 ' A' ' 56' ' ' LEU . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HG3' HD13 ' A' ' 33' ' ' LEU . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.638 ' SG ' HG12 ' A' ' 39' ' ' VAL . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 115' ' ' LEU . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CH2' HG13 ' A' ' 120' ' ' ILE . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.81 ' HE2' HD23 ' A' ' 115' ' ' LEU . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.015 HD21 HD22 ' A' ' 28' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.892 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.667 ' HD3' HD21 ' A' ' 14' ' ' LEU . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' HD23 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' ARG . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.679 ' HD2' HD22 ' A' ' 109' ' ' LEU . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.81 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.592 ' CD2' HD12 ' A' ' 75' ' ' LEU . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . 0.912 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.81 HD23 ' HE2' ' A' ' 51' ' ' PHE . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ILE . . . . . 0.712 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.488 0.185 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.21 161.65 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.55 175.65 14.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.72 99.39 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 3.9 m-20 -58.76 141.74 52.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.847 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -63.13 -47.63 81.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 5' ' ' ASP . 7.3 p80 -57.02 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -42.33 -53.94 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 6' ' ' ARG . 15.7 mt -40.07 -48.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' O ' HD23 ' A' ' 14' ' ' LEU . 7.2 ttp-105 -61.03 -61.11 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 19.6 mtp -42.7 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' MET . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.758 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.953 HG11 ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.786 ' OE2' HD13 ' A' ' 92' ' ' LEU . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.79 ' HB2' HD11 ' A' ' 92' ' ' LEU . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CH2' ' HG3' ' A' ' 80' ' ' PRO . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 HD22 ' A' ' 28' ' ' LEU . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 47.57 73.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.6 p -131.7 6.48 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 93.95 110.92 2.19 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 4.9 m-20 155.69 -86.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.8 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.761 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.0 m120 -114.74 38.77 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.976 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.758 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.58 14.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HG3' ' CH2' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 82' ' ' THR . 27.8 m 64.65 148.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.604 ' OG1' ' N ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 32.21 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.604 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -176.06 -65.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.93 93.73 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.86 6.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -44.1 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 81.4 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 44.39 58.94 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 -170.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -161.12 -89.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -41.81 -46.42 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HB2' ' A' ' 42' ' ' ASN . 2.3 pp -175.59 159.64 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 p -92.76 154.17 18.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -133.24 150.55 75.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.5 m -59.68 176.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -98.51 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.75 83.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -134.27 -45.73 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.2 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.21 160.36 14.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 176.69 9.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.725 ' CD2' HD23 ' A' ' 33' ' ' LEU . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.831 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.953 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' MET . 16.7 pt20 -46.14 -36.93 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 5.5 t60 -42.15 -28.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -92.99 -53.27 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.97 133.65 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' THR . 1.4 tpt85 72.74 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' ARG . 95.6 m 38.29 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.47 133.1 34.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.98 87.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.33 125.92 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.95 134.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -141.9 -55.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.06 77.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.537 ' O ' ' NE2' ' A' ' 4' ' ' GLN . . . 63.5 -171.25 15.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.537 ' NE2' ' O ' ' A' ' 3' ' ' GLY . 1.9 mp0 -158.2 169.4 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.97 150.07 43.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -69.68 -22.53 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -82.7 -38.47 23.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 11' ' ' MET . 0.7 OUTLIER -63.85 -44.66 92.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.61 -31.64 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CZ ' ' A' ' 77' ' ' ARG . 14.8 tpp85 -57.7 -40.23 79.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 15' ' ' ILE . 24.0 ptt? -96.45 -46.39 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' HD13 ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' HD3' ' A' ' 77' ' ' ARG . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 11' ' ' MET . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.639 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.691 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 21' ' ' LEU . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.89 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.785 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 36' ' ' PRO . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.803 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 62.98 47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 p -144.06 26.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -155.69 161.26 30.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' GLU . 2.2 t30 -58.06 -48.68 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 67' ' ' ILE . 15.6 m-20 -42.38 -29.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.864 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.792 HG13 HD23 ' A' ' 21' ' ' LEU . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.567 ' HD3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.4 Cg_endo -75.03 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.68 82.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.1 t 179.22 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 82' ' ' THR . 3.1 t-20 67.59 -68.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 63.86 88.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.17 63.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 -65.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.92 134.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 56.06 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 120.7 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.8 t-80 -59.3 -56.7 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 92' ' ' LEU . 15.1 mmt180 -59.7 81.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER 42.85 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 m -131.52 123.86 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.1 t -97.33 135.81 21.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.7 2.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t 43.85 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -135.5 -51.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -17.6 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -15.13 29.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 97' ' ' CYS . 17.9 m-85 -89.15 18.21 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.64 -167.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -107.39 -168.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.89 ' CD2' HD23 ' A' ' 33' ' ' LEU . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.872 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 44' ' ' GLU . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 -47.14 -40.16 15.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -39.56 -52.22 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -56.93 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -70.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.14 78.45 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.13 155.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.1 t -120.73 68.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 5.9 p-80 -160.12 116.66 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.57 139.56 2.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.38 133.64 23.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.52 81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.33 111.23 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.48 172.14 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.89 145.93 12.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -153.15 74.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -130.86 154.44 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -24.27 21.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -82.25 -37.97 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 11.7 mtp -60.97 -41.27 96.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.1 pp -78.64 -18.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.17 64.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.971 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.9 ptt? -96.25 -32.42 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 9' ' ' ILE . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.971 HD12 ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 74' ' ' LYS . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.87 ' HB3' HD11 ' A' ' 68' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.849 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.78 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' HB2' HD22 ' A' ' 92' ' ' LEU . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.722 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.72 ' OE1' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.797 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.612 HD21 HD22 ' A' ' 28' ' ' LEU . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' VAL . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.685 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 78.41 62.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.8 p -119.88 -7.88 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 87.85 178.49 47.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 7.6 t30 82.18 -70.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -102.49 -27.89 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo -75.01 174.13 13.32 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -119.01 -59.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 45' ' ' TRP . 2.0 t -66.85 69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' SER . 4.2 p30 -74.06 -51.89 14.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB2' ' HZ2' ' A' ' 89' ' ' LYS . . . 51.84 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.74 62.57 0.68 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.22 -59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.01 -62.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.33 149.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -108.41 -172.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER -125.82 -175.19 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER 80.4 0.59 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 175.89 -178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 93' ' ' THR . 45.5 m -118.45 59.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 123.24 70.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.31 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.8 p -80.38 175.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -104.54 58.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.08 -46.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -73.27 58.42 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 99' ' ' SER . 22.2 m-85 -146.38 -168.24 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.44 135.1 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 174.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.758 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.573 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.5 t60 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 9.3 pt20 -43.32 -33.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.05 -55.15 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -97.04 -56.89 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 t -100.48 86.1 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.0 m -43.17 -63.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 115.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 m -52.57 134.67 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -51.04 121.77 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.637 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.03 93.96 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.56 134.49 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.71 82.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 133.33 41.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.487 0.184 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 75.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.33 78.71 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.56 78.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' HIS . 0.4 OUTLIER -99.53 142.74 30.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -44.73 -26.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' ASP . 48.8 m170 -88.89 -49.25 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttm -50.92 -39.61 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.86 -31.0 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.54 74.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.5 ptp -95.51 -44.96 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 17' ' ' ILE . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 11' ' ' MET . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG22 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.98 HD22 HD21 ' A' ' 56' ' ' LEU . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' O ' HD21 ' A' ' 33' ' ' LEU . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.98 HD21 HD22 ' A' ' 28' ' ' LEU . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.519 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 61' ' ' THR . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 38.59 30.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 59' ' ' ALA . 1.9 p -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . . . 84.1 -46.69 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -40.06 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.704 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.04 44.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.596 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 72' ' ' ILE . 17.8 t-20 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 69' ' ' ASN . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' CG ' ' HA ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.01 166.15 29.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.444 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 47.79 72.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 84' ' ' ALA . 2.0 m 63.46 150.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 13.9 p-10 -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' H ' HG22 ' A' ' 82' ' ' THR . . . -148.94 -59.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.13 -179.84 46.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.01 100.31 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.63 123.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 58.69 175.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.6 118.06 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.4 OUTLIER -79.04 -53.5 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.3 mmt85 -32.6 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 91' ' ' ARG . 1.3 mp -143.38 135.71 27.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.2 m -92.07 133.49 35.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.1 m -129.17 151.34 77.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.98 129.15 12.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -174.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.38 -21.08 62.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -27.65 67.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -111.34 78.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' SER . 1.6 m-85 -175.19 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.8 tt0 88.75 141.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? -59.19 -175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 33' ' ' LEU . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.827 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.873 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 44' ' ' GLU . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 -42.81 -28.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 11.5 t60 -43.54 -31.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.8 tm? -95.97 -53.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 124' ' ' LEU . 1.6 t 80.04 -68.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' ARG . 0.2 OUTLIER 170.61 158.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' SER . 3.8 ptt-85 36.06 52.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m 63.83 149.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' A' ' 131' ' ' SER . 0.4 OUTLIER -80.55 177.15 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.83 65.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 129' ' ' HIS . 0.4 OUTLIER 54.64 171.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.023 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -156.46 168.61 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.04 -53.08 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG21 ' A' ' 128' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -91.17 120.42 32.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.62 -120.04 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -128.77 143.62 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.14 158.59 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -29.61 54.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.18 -28.87 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' MET . 6.8 ttm -76.92 -46.68 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.05 -32.86 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 1.034 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.9 ttm180 -52.47 -39.01 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.776 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? -94.42 -38.58 10.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.034 HD23 ' O ' ' A' ' 10' ' ' ARG . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 11' ' ' MET . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.527 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.432 ' ND2' ' OD1' ' A' ' 27' ' ' ASP . 0.5 OUTLIER -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 21' ' ' LEU . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.644 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.526 HG22 ' OD1' ' A' ' 42' ' ' ASN . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 41' ' ' THR . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.564 ' SG ' HG12 ' A' ' 39' ' ' VAL . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.841 ' O ' HD11 ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 28' ' ' LEU . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.772 ' N ' HD13 ' A' ' 56' ' ' LEU . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 54.95 63.42 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -145.81 20.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.06 -175.35 29.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.87 -35.28 59.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.527 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m120 -44.17 -29.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.774 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.777 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.821 HG13 HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.11 15.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.98 113.7 3.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.48 -67.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' PRO . 13.8 t -165.7 137.98 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -48.15 -51.54 24.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.33 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.89 60.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 140.01 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 65.61 149.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 73.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.06 50.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -93.8 6.22 49.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 178.61 148.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.6 p -80.5 -77.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 39.4 t 65.43 135.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 94' ' ' CYS . 18.4 Cg_endo -75.02 161.06 39.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -83.21 163.38 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 95.54 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -162.95 -64.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -70.35 62.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.9 m-85 -147.11 -45.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER 86.02 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -71.65 169.11 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.85 ' CD2' HD23 ' A' ' 33' ' ' LEU . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.757 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.965 ' HA ' HD12 ' A' ' 116' ' ' LEU . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.965 HD12 ' HA ' ' A' ' 113' ' ' LYS . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.56 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 -40.45 -41.07 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.458 ' CE1' HH22 ' A' ' 10' ' ' ARG . 3.9 t60 -41.31 -37.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.65 -58.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.93 67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 m 41.19 85.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -166.62 148.17 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -150.81 149.44 29.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -111.77 123.86 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.31 101.11 0.93 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.6 p -168.82 108.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -136.48 -61.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.02 -56.81 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.99 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.488 0.185 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -137.43 68.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.09 175.13 1.04 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 158.65 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.07 150.87 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -7.7 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 10' ' ' ARG . 1.4 t-160 -84.48 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 ptm -44.73 -39.08 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.74 -34.64 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 7' ' ' HIS . 44.3 ttp180 -50.96 -21.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.553 ' HE2' HD13 ' A' ' 124' ' ' LEU . 52.5 mtm -86.0 -69.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.726 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.883 HG13 HD12 ' A' ' 109' ' ' LEU . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.925 ' O ' HG23 ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 21' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.741 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 5.6 mp0 -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.939 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 83.25 -64.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.1 p -67.17 69.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -158.71 -166.44 17.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -46.37 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.545 ' HB3' HG22 ' A' ' 67' ' ' ILE . 6.7 m120 -59.68 -16.23 25.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.916 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.76 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.01 40.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.08 9.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.16 -63.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -173.54 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.555 ' ND2' ' N ' ' A' ' 84' ' ' ALA . 0.8 OUTLIER -177.79 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.555 ' N ' ' ND2' ' A' ' 83' ' ' ASN . . . 177.64 74.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.59 -83.19 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -50.27 158.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -39.98 138.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 92' ' ' LEU . 4.4 mttt -171.22 166.67 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -169.86 -173.59 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' HIS . 68.7 mtt180 37.99 36.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 89' ' ' LYS . 2.5 mt -84.35 115.41 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.684 HG22 ' N ' ' A' ' 94' ' ' CYS . 2.6 m -158.74 -100.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.684 ' N ' HG22 ' A' ' 93' ' ' THR . 2.0 t 65.06 139.93 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -101.71 157.26 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.39 75.64 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -142.5 -47.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 80.1 p -69.19 69.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 99' ' ' SER . 66.7 m-85 -162.38 -165.04 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 14.0 pt-20 -137.4 -165.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 3.4 mmpt? -108.24 153.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.962 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 18' ' ' VAL . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.76 ' CE2' HD12 ' A' ' 75' ' ' LEU . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.589 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 -37.68 -31.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 121' ' ' HIS . 65.9 t60 -38.87 -44.23 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 11' ' ' MET . 0.2 OUTLIER -98.84 -49.24 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 m 64.84 179.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m 61.68 116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.483 ' C ' HG22 ' A' ' 128' ' ' THR . 0.0 OUTLIER 69.27 126.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.483 HG22 ' C ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER 173.04 -38.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.05 166.86 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.8 -111.67 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.8 p 60.65 162.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 -61.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -158.02 163.6 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.494 0.188 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.02 107.64 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.65 47.59 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -145.51 127.82 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 62.5 124.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.0 -18.62 32.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.528 ' HB2' HD23 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -89.86 -45.78 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.5 ttp -53.41 -40.01 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 6' ' ' ARG . 2.0 pt -52.91 -34.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -91.7 -23.04 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 15' ' ' ILE . 9.2 tmm? -68.42 -63.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 11' ' ' MET . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.789 HD13 ' CB ' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.706 HG13 HD12 ' A' ' 109' ' ' LEU . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.619 ' CE2' HG21 ' A' ' 67' ' ' ILE . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.988 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD13 ' A' ' 33' ' ' LEU . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' ' HD1' ' A' ' 108' ' ' PHE . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HA ' HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 80' ' ' PRO . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.492 ' O ' HD21 ' A' ' 33' ' ' LEU . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.836 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.817 ' N ' HD13 ' A' ' 56' ' ' LEU . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 73.46 42.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.2 p -90.38 -23.88 20.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 90.42 -178.34 42.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 2.5 t30 77.34 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 -96.97 -15.51 21.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.745 ' O ' HG13 ' A' ' 70' ' ' VAL . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.852 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.864 HG13 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.789 ' CB ' HD13 ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 112' ' ' PHE . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HG2' HG22 ' A' ' 82' ' ' THR . 18.5 Cg_endo -74.94 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -31.38 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' HG2' ' A' ' 80' ' ' PRO . 2.0 t -83.94 52.43 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.618 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 16.2 t-20 -83.15 -57.08 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 168.28 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.44 -174.64 22.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -46.2 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.69 27.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.73 52.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -59.42 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -78.32 -136.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.76 -70.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 131.03 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.9 m -66.14 121.71 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.8 m -117.01 156.12 48.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 18.5 Cg_endo -74.96 104.18 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -40.03 -91.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 m -165.84 -53.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -84.01 59.5 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -121.47 -44.42 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' OH ' ' CB ' ' A' ' 95' ' ' PRO . 31.6 m-85 -76.95 -159.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -115.98 17.45 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER 73.3 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.821 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 113' ' ' LYS . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 15.2 pt20 -47.17 -42.24 19.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -38.98 -41.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 7' ' ' HIS . 2.2 tm? -73.93 -53.62 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.94 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.92 88.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -71.57 151.35 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.69 -59.39 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.05 127.78 3.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.11 138.81 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 169.86 23.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -154.31 -56.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -102.99 171.78 7.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.53 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.05 169.45 17.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.57 98.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -75.82 -13.36 60.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -54.2 4.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 11' ' ' MET . 0.3 OUTLIER -37.98 -36.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 9' ' ' ILE . 6.3 mm -40.08 -35.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -47.71 -53.57 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.463 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 ptt? -95.26 -33.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 109' ' ' LEU . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.693 ' O ' HG13 ' A' ' 25' ' ' VAL . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 22' ' ' LYS . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.05 ' CD2' HD21 ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.853 ' HB2' HD13 ' A' ' 92' ' ' LEU . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.013 HD21 HD22 ' A' ' 28' ' ' LEU . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.611 ' H ' HD22 ' A' ' 56' ' ' LEU . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.515 ' C ' HG22 ' A' ' 61' ' ' THR . 3.3 t-20 82.16 47.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 169.29 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.23 149.57 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.8 m120 -52.94 -175.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 47.99 29.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.807 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.714 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 21.2 t-20 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 67' ' ' ILE . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.04 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.44 -44.04 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -72.95 57.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -83.32 71.78 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.62 156.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.43 -108.02 1.95 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.4 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -115.26 168.81 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 1.4 tt0 85.65 -45.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 109.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' LEU . 5.2 t-80 -56.88 -41.48 78.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.866 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -65.06 74.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' C ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER 62.31 159.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 93' ' ' THR . 4.3 m -108.86 76.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.44 142.51 82.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.54 38.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -40.6 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 98' ' ' ASP . 8.3 t -101.01 58.07 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 108.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' CYS . 9.3 m-20 167.02 67.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -161.81 58.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -147.38 -63.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 172.31 -175.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -108.46 -160.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.705 ' CD2' HD23 ' A' ' 33' ' ' LEU . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.86 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.843 ' HA ' HD12 ' A' ' 116' ' ' LEU . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.612 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.612 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 -37.39 -44.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' ILE . 6.1 t60 -38.31 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.557 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.2 tm? -50.26 -57.03 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' LEU . 1.3 m -38.46 -58.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.14 -62.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.55 -57.08 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -126.69 150.4 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -105.63 61.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.15 -167.73 29.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.5 t -160.2 105.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' SER . 1.1 mt-10 -78.77 -43.03 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 t70 60.03 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' GLU . 1.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.529 0.204 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.72 45.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.95 -103.24 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 142.53 57.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 9' ' ' ILE . 38.6 m-20 -167.59 80.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -38.85 -52.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.0 p-80 -47.81 -58.53 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.623 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -43.71 -62.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 5' ' ' ASP . 2.7 mp -44.22 -51.64 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.96 -47.22 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.9 mtt -63.95 -63.84 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.934 HG13 HD12 ' A' ' 109' ' ' LEU . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' N ' HD13 ' A' ' 21' ' ' LEU . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.721 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.023 HD22 HD21 ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.6 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' HG22 ' A' ' 41' ' ' THR . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CZ3' ' CD ' ' A' ' 80' ' ' PRO . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.789 ' O ' HG12 ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' HG21 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.7 -69.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 61' ' ' THR . 12.0 t -69.63 62.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.55 -140.34 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -135.75 -47.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 0.808 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' CA ' HG22 ' A' ' 67' ' ' ILE . 72.0 m-20 -61.25 -15.04 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.682 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.902 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.86 HG13 HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ILE . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.98 34.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.99 178.76 6.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.5 m -49.9 -31.02 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 80' ' ' PRO . 1.4 t -60.99 -14.4 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -43.81 -69.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.36 170.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.53 -158.91 9.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.76 113.59 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.54 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.3 -54.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.55 111.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.5 OUTLIER -65.2 -118.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.403 ' H ' ' CG ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 66.3 -64.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -145.65 130.79 18.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 p -116.32 54.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 67.2 m -71.64 157.91 88.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.09 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 163.24 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -92.41 94.35 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.293 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -158.48 -45.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.438 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 44.5 t -70.32 61.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 99' ' ' SER . 50.4 m-85 -154.59 -168.79 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -122.64 139.74 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -58.79 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.683 ' CD2' HD23 ' A' ' 33' ' ' LEU . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.934 HD12 HG13 ' A' ' 18' ' ' VAL . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.573 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.626 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.737 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 -49.12 -31.37 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.86 -48.52 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.4 tm? -70.17 -53.97 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.97 108.53 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.43 165.74 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 92.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.2 p 44.89 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.51 115.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.49 84.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 p -163.15 113.08 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.83 80.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.7 t70 179.76 154.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.528 0.204 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.98 88.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.17 121.21 9.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -144.56 -67.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -50.8 108.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -73.54 -17.16 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.96 -49.9 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.512 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -44.02 -42.73 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 6' ' ' ARG . 10.5 mt -54.27 -49.03 66.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 1.7 tpm_? -41.84 -67.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.494 ' O ' HD12 ' A' ' 15' ' ' ILE . 13.6 ptt? -68.0 -49.67 60.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 8' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 18' ' ' VAL . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 11' ' ' MET . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.624 ' CE1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG23 HD12 ' A' ' 28' ' ' LEU . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.982 HD22 HD21 ' A' ' 56' ' ' LEU . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.713 ' HB3' HD11 ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' HE1' HD21 ' A' ' 116' ' ' LEU . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.982 HD21 HD22 ' A' ' 28' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.829 ' H ' HD22 ' A' ' 56' ' ' LEU . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.494 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 75.48 53.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -113.87 -11.86 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.52 -163.0 44.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.85 -78.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.624 ' ND2' ' CE1' ' A' ' 24' ' ' TYR . 0.6 OUTLIER -110.69 27.75 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 1.088 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 58' ' ' SER . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.088 HG13 ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 ' O ' ' A' ' 56' ' ' LEU . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' LYS . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.68 14.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.06 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.69 -44.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.618 ' O ' HG23 ' A' ' 82' ' ' THR . 10.2 t -80.69 70.92 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -79.1 -51.58 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.39 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' ARG . . . -121.55 51.68 0.78 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.2 ttm180 82.9 115.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 56.55 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 69.83 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 111.98 20.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -115.15 46.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -95.11 4.7 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.0 m -132.14 110.53 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.89 149.51 43.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.45 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.01 156.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 60.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.51 -46.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -84.51 53.08 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.2 m-85 -148.86 -44.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 2.7 tt0 87.18 144.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmpt? -54.72 179.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.694 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 18' ' ' VAL . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.852 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.474 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 -37.58 -33.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' HIS . 3.4 t-160 -47.38 -48.47 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 125' ' ' SER . 0.1 OUTLIER -39.9 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -153.49 106.13 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -178.4 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -179.54 68.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -61.43 138.3 58.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -89.55 -63.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 122.39 -123.47 5.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.3 168.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 37.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.65 -58.23 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 133.32 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.52 -62.94 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 51.69 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' HIS . 4.1 m-20 -108.22 130.31 55.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' ASP . 49.0 m80 -87.9 -54.58 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -28.22 58.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -88.37 -25.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' O ' HD23 ' A' ' 14' ' ' LEU . 12.4 tpp180 -53.15 -37.57 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.771 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 ptt? -93.31 -44.8 8.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 113' ' ' LYS . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 28' ' ' LEU . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.094 HD22 HD21 ' A' ' 56' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.531 ' HB2' HD13 ' A' ' 92' ' ' LEU . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.69 ' SG ' HG12 ' A' ' 39' ' ' VAL . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.777 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.953 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.094 HD21 HD22 ' A' ' 28' ' ' LEU . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.616 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 72.66 -65.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 t -69.61 61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.57 -127.9 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.88 -46.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 -84.97 47.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.856 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.509 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.69 42.76 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' SER . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 38.64 63.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 82' ' ' THR . 55.2 m 39.06 54.56 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HB3' ' CG ' ' A' ' 45' ' ' TRP . 2.3 p30 41.76 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.29 135.53 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.84 -64.53 3.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -147.15 -55.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -75.15 169.33 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 5.1 tp60 -39.31 -66.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 3.9 tmtm? 86.05 -47.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.3 t60 67.69 120.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.646 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.555 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -86.07 38.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 40.69 -136.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -72.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 137.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 108.243 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.03 19.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.9 p -62.05 140.88 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.573 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 1.6 m -77.58 60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -132.72 -49.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.02 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 97' ' ' CYS . 15.5 m-85 -114.2 -86.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 175.75 165.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -96.87 148.23 23.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.839 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 115' ' ' LEU . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 14' ' ' LEU . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 -34.85 -40.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 120' ' ' ILE . 11.4 t60 -38.95 -41.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.44 -57.55 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 96.04 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.07 90.23 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 150.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.611 ' O ' HG22 ' A' ' 128' ' ' THR . 8.6 m 62.91 53.65 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.95 152.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.12 129.88 0.66 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 m 62.88 108.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.43 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -61.77 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.87 87.37 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.66 73.68 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.11 139.99 44.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.509 ' HB2' HD11 ' A' ' 124' ' ' LEU . 0.1 OUTLIER 62.93 152.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.885 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.67 -25.46 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -30.69 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 3.6 ptt? -42.16 -32.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 6' ' ' ARG . 7.6 tt -46.82 -56.24 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.751 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -42.64 -33.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.61 -69.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.653 HD11 ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.997 HG11 ' CB ' ' A' ' 113' ' ' LYS . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.593 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 68' ' ' ILE . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 21' ' ' LEU . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.896 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.805 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.727 ' SG ' HG12 ' A' ' 39' ' ' VAL . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.853 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' HG12 ' A' ' 29' ' ' VAL . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.694 ' OG ' HG21 ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 73.64 49.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 t -131.02 21.81 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 64' ' ' ASN . . . 63.59 -143.34 47.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -72.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.865 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 -131.47 40.88 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 1.034 HG13 HD23 ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' ILE . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 69' ' ' ASN . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD12 ' CE2' ' A' ' 112' ' ' PHE . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 m -40.69 -60.91 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 82' ' ' THR . 6.6 t -68.1 81.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -80.15 -51.11 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.05 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.43 -122.38 1.38 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.65 86.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.78 -60.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -47.81 -55.98 8.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 93.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -133.93 -172.29 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.39 8.24 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 179.47 132.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -89.67 55.97 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 136.83 19.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.89 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.42 175.34 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 68.52 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -127.94 -54.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.602 ' CG ' ' HA ' ' A' ' 36' ' ' PRO . 18.5 m-85 -61.69 -177.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -144.07 178.47 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.03 -178.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.896 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.754 ' CE2' HD12 ' A' ' 75' ' ' LEU . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.997 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 44' ' ' GLU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.707 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 -45.84 -35.29 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 122' ' ' GLN . 30.2 t60 -39.34 -49.9 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 5' ' ' ASP . 3.3 tm? -56.14 -57.14 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -60.98 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.1 t 67.55 76.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -172.37 131.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.6 m 57.82 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -143.17 63.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 57.89 114.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.21 92.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.57 159.45 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.55 107.93 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -42.54 -49.03 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.2 -53.97 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -49.99 143.67 7.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -114.96 138.39 50.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.32 -22.05 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ARG . 11.2 m-70 -89.12 -65.83 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -41.63 -27.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 10' ' ' ARG . 2.4 pp -87.28 -45.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' HD12 ' A' ' 9' ' ' ILE . 9.1 ttp180 -45.9 -47.1 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.676 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.52 -71.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ILE . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.811 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 11' ' ' MET . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.885 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.951 ' CE2' HG21 ' A' ' 67' ' ' ILE . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.897 ' CD2' HD21 ' A' ' 56' ' ' LEU . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HG3' HD13 ' A' ' 33' ' ' LEU . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.891 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.94 ' HB2' HD11 ' A' ' 92' ' ' LEU . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.832 ' SG ' HG12 ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.588 ' CB ' HD21 ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.897 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' N ' HD13 ' A' ' 56' ' ' LEU . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.503 ' CB ' HG21 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 55.41 63.59 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -149.46 24.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.64 179.15 31.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -77.11 -34.12 56.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.576 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 3.0 m120 -53.77 -20.68 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.675 ' O ' HG13 ' A' ' 70' ' ' VAL . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.951 HG21 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.815 HG13 HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.481 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -74.98 175.09 11.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.01 -85.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' THR . 26.1 m -83.87 57.34 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' SER . 17.2 m 34.7 76.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.6 t30 68.19 -66.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -132.69 -48.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.81 90.34 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.91 -174.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 154.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.25 103.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -40.72 -36.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.4 t-80 69.44 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.959 ' O ' HD12 ' A' ' 92' ' ' LEU . 83.3 mtt-85 -60.84 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER 43.57 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.9 p -87.64 -176.48 5.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.75 144.87 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 127.79 11.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -172.78 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' CYS . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 100' ' ' TYR . 3.4 m -88.85 97.02 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 178.27 -41.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -57.01 -26.34 60.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 36' ' ' PRO . 12.5 p90 -123.92 148.59 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -163.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -84.01 -161.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.765 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.855 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.754 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 -35.21 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' HIS . 42.4 t60 -39.69 -45.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.622 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.25 -46.75 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.36 106.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 t -161.03 -65.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.84 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 4.5 m -162.07 61.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 175.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -116.18 -109.07 2.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.27 168.83 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -111.33 118.12 34.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -54.06 -50.77 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.465 0.174 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.65 107.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.73 -140.8 3.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.82 81.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 69.38 94.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.1 ttt85 -52.06 -44.87 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -53.83 -54.74 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttm -40.82 -53.72 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 6' ' ' ARG . 3.1 mt -43.58 -53.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -60.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 mtm -47.52 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' MET . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.667 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.964 HG12 HD12 ' A' ' 28' ' ' LEU . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.104 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.87 ' CG ' HD13 ' A' ' 92' ' ' LEU . 6.9 m120 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD11 ' A' ' 115' ' ' LEU . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.104 HD21 HD22 ' A' ' 28' ' ' LEU . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.784 ' H ' HD22 ' A' ' 56' ' ' LEU . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 68' ' ' ILE . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 59.45 45.67 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -139.44 22.56 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.35 176.43 26.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.41 -31.63 48.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 -58.47 -17.13 18.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 1.034 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.519 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.688 ' HA ' HD12 ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.034 HG13 ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 113.13 3.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.5 Cg_endo -74.95 169.69 22.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 56.93 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' ALA . 56.0 m -55.33 -68.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 8.0 m120 67.89 -68.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 59.31 -171.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.37 -59.59 3.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -46.95 14.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.12 -62.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -179.82 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 85.27 29.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 14.8 t-160 53.3 36.89 23.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.652 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.58 106.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.87 HD13 ' CG ' ' A' ' 42' ' ' ASN . 3.4 mp -61.16 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ARG . 3.1 m 50.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.4 m -174.98 138.9 0.6 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 94' ' ' CYS . 18.2 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -67.55 169.69 8.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 t -101.84 108.65 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 170.43 -39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.81 105.66 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -155.71 -82.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.87 158.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -98.82 158.9 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' A' ' 21' ' ' LEU . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 115' ' ' LEU . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 -48.48 -36.63 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -39.35 -42.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -51.7 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.98 110.53 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.13 156.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.19 111.66 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -85.1 -61.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.15 162.52 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 157.0 140.91 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 91.8 p -167.11 140.48 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 66.43 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -118.23 107.01 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.43 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.89 70.53 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -176.59 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' HIS . 6.6 m-20 -45.62 166.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -38.84 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' NE2' ' NH2' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -48.08 -51.9 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.564 ' HG3' HD21 ' A' ' 124' ' ' LEU . 11.5 ttt -64.96 -61.37 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' MET . 2.9 mp -40.15 -35.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -40.17 -56.38 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.789 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -95.29 -28.28 15.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 18' ' ' VAL . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.801 HD13 ' HB2' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 14' ' ' LEU . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.897 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.931 HG22 HD12 ' A' ' 28' ' ' LEU . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.931 HD12 HG22 ' A' ' 25' ' ' VAL . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.851 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.018 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 40' ' ' GLU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 1.018 ' SG ' HG12 ' A' ' 39' ' ' VAL . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.77 ' O ' HD11 ' A' ' 115' ' ' LEU . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.55 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.851 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 115' ' ' LEU . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.97 60.27 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.71 30.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -165.95 158.26 31.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 65' ' ' GLU . 8.3 t-20 -55.35 -48.49 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -41.77 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 63' ' ' ASN . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.85 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.823 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.52 ' HA ' HD12 ' A' ' 72' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LEU . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 69' ' ' ASN . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.801 ' HB2' HD13 ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.02 50.67 2.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' THR . 0.1 OUTLIER 68.07 -62.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.562 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.2 t -34.04 -53.81 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.603 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 9.3 p30 45.97 -172.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 168.76 163.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 65.72 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.9 -61.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -112.89 -72.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.7 175.02 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 101.31 4.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.486 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.9 OUTLIER -46.45 -60.63 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.575 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' HIS . 11.0 mtt180 -31.66 -65.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 42' ' ' ASN . 1.2 mp -141.5 125.13 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.3 m -48.74 -69.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.11 138.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.84 38.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.96 -173.8 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.3 m -96.62 83.99 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.07 -54.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.4 t -58.94 -55.87 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 36' ' ' PRO . 13.3 m-85 -40.54 -41.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' LYS . 28.9 tt0 65.0 77.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 42.67 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.955 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 18' ' ' VAL . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.824 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 51' ' ' PHE . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.497 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 -36.92 -43.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -40.19 -56.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' A' ' 8' ' ' MET . 10.9 mp -50.9 -52.21 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 m -57.55 -65.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -97.41 101.54 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.505 ' NH2' ' NE2' ' A' ' 7' ' ' HIS . 6.0 ttt180 -112.23 1.73 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 p -78.01 55.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -106.21 -79.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.92 -64.56 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 p 63.1 114.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -112.1 117.88 33.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.67 114.5 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -157.71 81.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 135.74 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -122.76 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 8' ' ' MET . 3.0 m-20 -52.19 129.71 28.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 9' ' ' ILE . 9.6 ptt180 -91.31 -29.56 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 t-160 -82.29 -62.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HB2' ' CB ' ' A' ' 5' ' ' ASP . 10.4 mtp -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -86.72 -46.5 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.689 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.5 ttm180 -57.69 -31.48 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -87.8 -36.99 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.967 ' HB3' HD13 ' A' ' 116' ' ' LEU . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.768 HG23 ' HG3' ' A' ' 113' ' ' LYS . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HD11 HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.992 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.992 ' CD2' HD21 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.701 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.725 ' CG ' HD21 ' A' ' 115' ' ' LEU . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.812 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.501 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' VAL . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 52.3 72.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.66 4.96 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 89.76 109.99 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 3.4 m-20 156.27 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' CA ' HG22 ' A' ' 67' ' ' ILE . 20.5 m-20 -97.12 -14.8 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.655 ' O ' HG13 ' A' ' 70' ' ' VAL . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.508 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ILE . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.33 16.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -167.03 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.33 -54.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -74.81 81.84 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 46.2 t-20 -79.94 -57.0 3.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 83' ' ' ASN . . . 71.85 125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.44 -61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -49.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -47.47 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -44.63 124.88 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -42.33 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 0.8 OUTLIER 70.46 -59.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.885 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.9 mmt180 -65.45 70.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER 62.37 135.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -113.28 94.6 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.41 ' SG ' ' OG ' ' A' ' 46' ' ' SER . 4.2 m -56.27 151.83 25.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.0 76.53 3.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' PRO . 2.6 m 58.1 157.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.056 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -54.44 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.79 83.25 1.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 m -154.67 40.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 45.2 m-85 -129.91 -61.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.2 tt0 164.11 138.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -57.15 -161.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 109' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 116' ' ' LEU . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.967 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.493 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 2.6 pt20 -40.69 -28.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 121' ' ' HIS . 8.2 t-160 -42.68 -50.46 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.82 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.4 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.6 120.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -151.48 177.68 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 128' ' ' THR . 2.6 t -93.41 20.71 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -113.13 -49.15 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.86 118.14 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -102.27 131.26 48.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.87 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -40.49 136.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.7 172.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.43 152.89 22.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -141.74 146.0 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.19 146.67 22.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -20.08 57.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.554 ' C ' HD21 ' A' ' 124' ' ' LEU . 56.2 m80 -88.23 -31.89 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.24 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -83.75 -30.84 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -47.24 -40.16 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.854 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -94.07 -28.98 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.941 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.608 ' HB3' HD11 ' A' ' 68' ' ' ILE . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 28' ' ' LEU . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 25' ' ' VAL . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 57' ' ' LYS . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.837 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.654 ' CB ' HD13 ' A' ' 92' ' ' LEU . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.917 ' SG ' HG12 ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB3' HD11 ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.763 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.87 HD11 HD21 ' A' ' 28' ' ' LEU . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' VAL . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 154.59 -51.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.3 -14.89 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.74 143.4 18.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.11 -45.97 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.565 ' HB2' HD13 ' A' ' 68' ' ' ILE . 4.3 m120 -61.01 -14.78 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 58' ' ' SER . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.893 HG13 HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.61 HH11 HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 116.1 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t 61.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.044 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 82' ' ' THR . 9.9 t -122.66 78.28 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 m120 -40.64 -46.32 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ASN . . . 68.56 168.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.21 82.61 1.68 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -169.66 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 3.4 ptt180 37.06 77.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 2.7 tt0 83.87 159.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.04 85.07 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER -53.39 -44.94 69.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.588 ' HB3' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.6 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD13 ' CB ' ' A' ' 42' ' ' ASN . 1.6 mp -141.93 -177.41 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 p -77.47 128.66 34.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 t -175.43 136.21 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.83 30.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.8 m -81.23 -178.64 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 106.69 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 170.61 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 p -57.28 -36.5 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -82.54 178.27 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -108.95 -75.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -175.35 -158.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.982 HD12 HG13 ' A' ' 18' ' ' VAL . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.74 ' CG ' HG23 ' A' ' 15' ' ' ILE . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 -38.43 -39.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 25.0 t60 -39.54 -47.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.558 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.554 HD21 ' C ' ' A' ' 7' ' ' HIS . 2.5 mm? -59.56 -51.82 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.57 -74.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.77 179.66 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -72.54 165.52 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -73.59 100.18 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -53.17 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.31 -173.37 55.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.52 158.37 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.65 -66.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -139.48 147.1 40.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.77 -61.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.19 -78.35 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -78.57 138.09 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 7' ' ' HIS . 20.7 t70 -88.66 105.25 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.753 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.97 -39.52 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -54.24 -69.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' ILE . 2.2 ttm -38.8 -57.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 6' ' ' ARG . 7.7 mt -38.48 -40.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 7' ' ' HIS . 21.9 tpp180 -43.84 -58.24 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' ILE . 8.6 ptp -90.36 -33.94 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.572 HD13 ' HG2' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.905 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 106' ' ' LYS . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.777 ' CD2' HD11 ' A' ' 56' ' ' LEU . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.867 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' OD1' HG22 ' A' ' 41' ' ' THR . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.743 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 57' ' ' LYS . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.807 ' N ' HD13 ' A' ' 56' ' ' LEU . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 77.85 35.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 60' ' ' ASN . 10.7 t -176.44 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.11 -87.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.7 -64.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.793 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.0 58.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.915 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.572 ' HG2' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.64 HD12 ' HE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HG2' ' HA ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -74.98 113.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.2 Cg_endo -75.09 -174.8 2.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.812 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t 66.37 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' THR . 9.3 t -144.22 70.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.5 p-10 -40.12 -50.56 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 166.75 44.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.65 -136.74 17.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -110.02 -70.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -55.5 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -121.54 100.24 6.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.36 131.63 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -105.0 -169.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.59 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 64.45 11.0 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.6 pp 176.59 138.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.6 p -117.77 47.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.7 m -67.83 145.4 97.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 p -162.03 168.84 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.28 59.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 108.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.25 -46.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -44.0 -31.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.3 -171.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -113.02 146.04 39.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -60.93 170.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 33' ' ' LEU . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.86 HD12 HG13 ' A' ' 18' ' ' VAL . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.831 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 -43.51 -35.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -26.02 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 124' ' ' LEU . 1.2 pp -79.82 -36.52 36.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' GLN . 82.4 p -93.26 -175.27 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.4 81.52 1.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.86 144.47 2.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 t -97.88 144.05 27.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 149.68 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.59 162.29 21.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 165.58 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -68.02 148.62 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t0 175.58 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.545 0.212 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -145.88 155.27 42.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.26 144.68 12.83 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.54 -67.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.65 159.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -23.89 30.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -83.78 -50.73 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttp -49.6 -43.97 46.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.631 HD12 ' N ' ' A' ' 10' ' ' ARG . 2.6 pp -71.01 -43.36 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.1 ttm180 -44.99 -42.41 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.816 ' O ' HD12 ' A' ' 15' ' ' ILE . 29.9 mtp -58.14 -65.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 17' ' ' ILE . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.908 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.695 ' CB ' HD11 ' A' ' 68' ' ' ILE . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.606 ' HB3' HD22 ' A' ' 92' ' ' LEU . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' CYS . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' HD11 ' A' ' 33' ' ' LEU . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.686 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.524 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 62' ' ' GLY . 12.3 m-20 72.61 -60.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p -66.15 73.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -156.34 -143.28 3.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -124.73 -49.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.66 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 p30 -84.48 47.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.882 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.922 HG13 HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.06 174.09 13.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.5 Cg_endo -74.94 65.41 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m 43.91 49.3 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 82' ' ' THR . 8.7 t -173.55 55.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.8 p30 -59.79 -55.19 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.931 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . . . 68.07 128.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.65 39.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 8.0 ttt-85 179.09 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' CG ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 32.94 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 87' ' ' ARG . 2.0 mt-30 34.96 72.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.931 ' HE3' ' HB2' ' A' ' 84' ' ' ALA . 7.2 tmtt? -159.11 144.34 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' CG ' ' H ' ' A' ' 91' ' ' ARG . 1.7 t-80 -121.81 -142.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 90' ' ' HIS . 2.3 ttt-85 76.56 -53.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 42' ' ' ASN . 0.4 OUTLIER -143.22 125.25 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -60.64 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 7.6 m -137.96 131.13 16.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -72.45 132.9 44.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.7 t -79.81 -38.97 31.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.96 -21.58 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.18 79.86 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.92 -82.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 179.53 -178.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -108.21 -162.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 116' ' ' LEU . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.607 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.485 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 118' ' ' LYS . 11.7 pt20 -46.96 -46.41 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' GLN . 17.6 t-80 -38.83 -48.14 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.48 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 122' ' ' GLN . 3.2 t -50.92 -64.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.37 -56.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 63.49 92.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 65.2 p -69.57 97.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.31 -64.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.37 73.83 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.8 p -174.15 137.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.39 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.04 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -136.12 163.34 30.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.35 -177.29 22.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -178.13 117.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -137.73 136.76 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -50.29 -27.93 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . 89.4 m-70 -73.06 -68.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.89 -53.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ARG . 12.8 mt -39.89 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.866 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.21 -61.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.757 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? -76.81 -35.6 57.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.923 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 113' ' ' LYS . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.913 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CB ' HD11 ' A' ' 68' ' ' ILE . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 1.015 HD22 HD21 ' A' ' 56' ' ' LEU . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HG3' HD13 ' A' ' 33' ' ' LEU . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.638 ' SG ' HG12 ' A' ' 39' ' ' VAL . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 115' ' ' LEU . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' HG23 ' A' ' 82' ' ' THR . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 84' ' ' ALA . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.81 ' HE2' HD23 ' A' ' 115' ' ' LEU . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.015 HD21 HD22 ' A' ' 28' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.641 ' HB3' HG23 ' A' ' 61' ' ' THR . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 76.67 18.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.641 HG23 ' HB3' ' A' ' 59' ' ' ALA . 12.3 p -57.6 -31.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -36.7 3.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.17 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.892 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -102.82 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.667 ' HD3' HD21 ' A' ' 14' ' ' LEU . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.57 14.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.05 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.5 p -128.77 -50.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 82' ' ' THR . 12.8 t -70.09 58.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' SER . 61.6 t-20 -68.87 -48.81 62.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . . . 63.62 134.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.88 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER 58.85 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.47 163.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -46.02 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -122.88 -46.14 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.498 ' O ' ' C ' ' A' ' 91' ' ' ARG . 1.4 t-80 67.61 -63.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 90' ' ' HIS . 20.5 mtp180 -30.68 -64.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' C ' ' A' ' 91' ' ' ARG . 1.2 mp -141.62 -150.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 93' ' ' THR . 9.5 t -128.39 59.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 137.74 20.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.75 38.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.4 OUTLIER -97.06 159.99 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.03 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' SER . 2.9 t0 -173.36 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -88.56 77.77 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 99' ' ' SER . 67.9 m-85 -162.62 -167.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -129.79 126.07 37.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -45.39 155.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' HD23 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' ARG . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.679 ' HD2' HD22 ' A' ' 109' ' ' LEU . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.81 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.592 ' CD2' HD12 ' A' ' 75' ' ' LEU . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . 0.912 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.81 HD23 ' HE2' ' A' ' 51' ' ' PHE . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ILE . . . . . 0.712 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 -47.09 -31.64 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 8.1 t60 -57.15 -53.02 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.8 mp -50.56 -48.77 57.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.3 OUTLIER -77.38 157.06 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 125' ' ' SER . 2.7 t 82.45 -67.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.09 113.24 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.9 t -120.51 149.22 42.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -162.04 -57.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.54 64.08 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.1 p -153.04 83.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.35 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 135.94 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 19.6 mtp . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.51 0.195 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' MET . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.758 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.953 HG11 ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.549 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.725 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 HD22 ' A' ' 28' ' ' LEU . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.761 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.0 m120 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.976 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.758 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.725 ' CD2' HD23 ' A' ' 33' ' ' LEU . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.831 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.953 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' MET . 13.1 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 15' ' ' ILE . 24.0 ptt? . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.482 0.182 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' HD13 ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' HD3' ' A' ' 77' ' ' ARG . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 11' ' ' MET . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.639 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.691 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 21' ' ' LEU . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.89 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.785 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' CH2' HG13 ' A' ' 120' ' ' ILE . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 36' ' ' PRO . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.803 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 67' ' ' ILE . 15.6 m-20 . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.864 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.792 HG13 HD23 ' A' ' 21' ' ' LEU . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.567 ' HD3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.89 ' CD2' HD23 ' A' ' 33' ' ' LEU . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.872 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 44' ' ' GLU . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.971 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.9 ptt? . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.525 0.202 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.971 HD12 ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 74' ' ' LYS . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.87 ' HB3' HD11 ' A' ' 68' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.849 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.78 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.722 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.72 ' OE1' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.797 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.612 HD21 HD22 ' A' ' 28' ' ' LEU . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' VAL . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.685 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.758 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.573 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.8 t-160 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 13.6 pt20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.5 ptp . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.492 0.187 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 17' ' ' ILE . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 11' ' ' MET . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.827 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.51 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.544 HG22 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.98 HD22 HD21 ' A' ' 56' ' ' LEU . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.442 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' O ' HD21 ' A' ' 33' ' ' LEU . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.98 HD21 HD22 ' A' ' 28' ' ' LEU . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.519 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 60' ' ' ASN . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.704 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.376 -0.602 . . . . 0.0 109.376 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.42 ' CG ' ' HB3' ' A' ' 58' ' ' SER . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.596 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.1 t30 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 69' ' ' ASN . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.44 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 33' ' ' LEU . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.827 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.873 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 44' ' ' GLU . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.497 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.776 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.49 0.186 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.953 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 11' ' ' MET . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 21' ' ' LEU . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.85 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.644 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.526 HG22 ' OD1' ' A' ' 42' ' ' ASN . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 41' ' ' THR . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.564 ' SG ' HG12 ' A' ' 39' ' ' VAL . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.841 ' O ' HD11 ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.56 ' CH2' HG13 ' A' ' 120' ' ' ILE . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 28' ' ' LEU . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.772 ' N ' HD13 ' A' ' 56' ' ' LEU . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 67' ' ' ILE . 5.3 m-80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.774 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.777 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.821 HG13 HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.85 ' CD2' HD23 ' A' ' 33' ' ' LEU . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.757 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.965 ' HA ' HD12 ' A' ' 116' ' ' LEU . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.965 HD12 ' HA ' ' A' ' 113' ' ' LYS . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.56 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.538 ' HB3' ' CE1' ' A' ' 121' ' ' HIS . 52.5 mtm . . . . . 0 N--CA 1.452 -0.345 0 CA-C-O 120.488 0.185 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.726 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.883 HG13 HD12 ' A' ' 109' ' ' LEU . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.925 ' O ' HG23 ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 21' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.962 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.741 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.939 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.545 ' HB3' HG22 ' A' ' 67' ' ' ILE . 6.7 m120 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.916 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.76 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.962 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 18' ' ' VAL . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.76 ' CE2' HD12 ' A' ' 75' ' ' LEU . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.589 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 15' ' ' ILE . 9.2 tmm? . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.491 0.186 . . . . 0.0 111.051 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 11' ' ' MET . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.789 HD13 ' CB ' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.706 HG13 HD12 ' A' ' 109' ' ' LEU . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.619 ' CE2' HG21 ' A' ' 67' ' ' ILE . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.988 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD13 ' A' ' 33' ' ' LEU . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' ' HD1' ' A' ' 108' ' ' PHE . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HA ' HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.492 ' O ' HD21 ' A' ' 33' ' ' LEU . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.836 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.817 ' N ' HD13 ' A' ' 56' ' ' LEU . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.745 ' O ' HG13 ' A' ' 70' ' ' VAL . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.852 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.864 HG13 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.507 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.789 ' CB ' HD13 ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 112' ' ' PHE . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.821 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 113' ' ' LYS . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 2.2 ptt? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.542 0.211 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 109' ' ' LEU . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.693 ' O ' HG13 ' A' ' 25' ' ' VAL . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 22' ' ' LYS . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.05 ' CD2' HD21 ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.013 HD21 HD22 ' A' ' 28' ' ' LEU . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.611 ' H ' HD22 ' A' ' 56' ' ' LEU . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 3.3 t-20 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.807 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.714 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 6.4 t30 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 67' ' ' ILE . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.705 ' CD2' HD23 ' A' ' 33' ' ' LEU . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.86 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.843 ' HA ' HD12 ' A' ' 116' ' ' LEU . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.612 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.612 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.9 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.505 0.193 . . . . 0.0 110.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.934 HG13 HD12 ' A' ' 109' ' ' LEU . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.554 ' N ' HD13 ' A' ' 21' ' ' LEU . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.721 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.023 HD22 HD21 ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.6 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' HG22 ' A' ' 41' ' ' THR . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' CH2' HG13 ' A' ' 120' ' ' ILE . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.023 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.789 ' O ' HG12 ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' HG21 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' CA ' HG22 ' A' ' 67' ' ' ILE . 21.7 m120 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.682 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.902 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.86 HG13 HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ILE . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.683 ' CD2' HD23 ' A' ' 33' ' ' LEU . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.934 HD12 HG13 ' A' ' 18' ' ' VAL . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.573 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.626 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.737 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.494 ' O ' HD12 ' A' ' 15' ' ' ILE . 13.6 ptt? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.489 0.185 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.464 ' N ' ' CG ' ' A' ' 11' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 18' ' ' VAL . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 11' ' ' MET . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.581 ' CE1' ' CG ' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.553 HG23 HD12 ' A' ' 28' ' ' LEU . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.982 HD22 HD21 ' A' ' 56' ' ' LEU . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.713 ' HB3' HD11 ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' HE1' HD21 ' A' ' 116' ' ' LEU . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.982 HD21 HD22 ' A' ' 28' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.829 ' H ' HD22 ' A' ' 56' ' ' LEU . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.494 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.581 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 1.088 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 58' ' ' SER . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.088 HG13 ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 ' O ' ' A' ' 56' ' ' LEU . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' LYS . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmpt? . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.694 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 18' ' ' VAL . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.852 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.474 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.771 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 ptt? . . . . . 0 N--CA 1.452 -0.326 0 CA-C-O 120.488 0.185 . . . . 0.0 111.005 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 113' ' ' LYS . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.839 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 28' ' ' LEU . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.094 HD22 HD21 ' A' ' 56' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.69 ' SG ' HG12 ' A' ' 39' ' ' VAL . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.777 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.953 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.094 HD21 HD22 ' A' ' 28' ' ' LEU . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.616 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.856 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.509 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.486 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.839 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 115' ' ' LEU . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 14' ' ' LEU . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.5 0.19 . . . . 0.0 111.018 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.653 HD11 ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.997 HG11 ' CB ' ' A' ' 113' ' ' LYS . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.593 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 68' ' ' ILE . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 21' ' ' LEU . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.896 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.805 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.727 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.727 ' SG ' HG12 ' A' ' 39' ' ' VAL . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.853 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' HG12 ' A' ' 29' ' ' VAL . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.694 ' OG ' HG21 ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.865 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 1.034 HG13 HD23 ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' ILE . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 69' ' ' ASN . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.754 HD12 ' CE2' ' A' ' 112' ' ' PHE . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.896 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.754 ' CE2' HD12 ' A' ' 75' ' ' LEU . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.997 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 44' ' ' GLU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.707 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.676 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.508 0.195 . . . . 0.0 110.955 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.811 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 11' ' ' MET . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.885 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.951 ' CE2' HG21 ' A' ' 67' ' ' ILE . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.897 ' CD2' HD21 ' A' ' 56' ' ' LEU . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HG3' HD13 ' A' ' 33' ' ' LEU . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.891 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.832 ' SG ' HG12 ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.588 ' CB ' HD21 ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.541 ' CH2' HG13 ' A' ' 120' ' ' ILE . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.897 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.538 ' N ' HD13 ' A' ' 56' ' ' LEU . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.503 ' CB ' HG21 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 9.1 m-20 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.675 ' O ' HG13 ' A' ' 70' ' ' VAL . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.951 HG21 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.815 HG13 HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.481 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.411 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.765 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.855 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.754 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 mtm . . . . . 0 N--CA 1.454 -0.271 0 CA-C-O 120.49 0.186 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' MET . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.667 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.964 HG12 HD12 ' A' ' 28' ' ' LEU . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.104 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.1 m-20 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD11 ' A' ' 115' ' ' LEU . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.104 HD21 HD22 ' A' ' 28' ' ' LEU . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.784 ' H ' HD22 ' A' ' 56' ' ' LEU . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 68' ' ' ILE . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 58' ' ' SER . 2.0 m120 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 1.034 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.519 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.688 ' HA ' HD12 ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.034 HG13 ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HB3' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' A' ' 21' ' ' LEU . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 115' ' ' LEU . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.789 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 CA-C-O 120.479 0.181 . . . . 0.0 110.946 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 18' ' ' VAL . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.801 HD13 ' HB2' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 14' ' ' LEU . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.897 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.931 HG22 HD12 ' A' ' 28' ' ' LEU . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.931 HD12 HG22 ' A' ' 25' ' ' VAL . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.851 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.018 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 40' ' ' GLU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 1.018 ' SG ' HG12 ' A' ' 39' ' ' VAL . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.77 ' O ' HD11 ' A' ' 115' ' ' LEU . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.464 ' CZ2' HD12 ' A' ' 120' ' ' ILE . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' CYS . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.851 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 115' ' ' LEU . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.642 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.85 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.823 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.52 ' HA ' HD12 ' A' ' 72' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LEU . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 69' ' ' ASN . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.801 ' HB2' HD13 ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.955 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 18' ' ' VAL . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.824 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 51' ' ' PHE . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.542 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.3 t-80 -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.529 0.204 . . . . 0.0 111.012 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.967 ' HB3' HD13 ' A' ' 116' ' ' LEU . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.768 HG23 ' HG3' ' A' ' 113' ' ' LYS . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HD11 HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.992 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.449 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.992 ' CD2' HD21 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.701 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.501 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.725 ' CG ' HD21 ' A' ' 115' ' ' LEU . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.812 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.501 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' VAL . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.589 ' CA ' HG22 ' A' ' 67' ' ' ILE . 20.5 m-20 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.655 ' O ' HG13 ' A' ' 70' ' ' VAL . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.508 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ILE . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.419 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 109' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 116' ' ' LEU . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.967 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.493 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 2.6 pt20 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.854 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.522 0.201 . . . . 0.0 111.016 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.941 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.608 ' HB3' HD11 ' A' ' 68' ' ' ILE . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 28' ' ' LEU . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 25' ' ' VAL . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 57' ' ' LYS . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.487 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.837 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.917 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.917 ' SG ' HG12 ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB3' HD11 ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.763 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.87 HD11 HD21 ' A' ' 28' ' ' LEU . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' VAL . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.565 ' HB2' HD13 ' A' ' 68' ' ' ILE . 4.3 m120 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 58' ' ' SER . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.893 HG13 HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.49 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.61 HH11 HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.982 HD12 HG13 ' A' ' 18' ' ' VAL . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.74 ' CG ' HG23 ' A' ' 15' ' ' ILE . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.3 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' ILE . 8.6 ptp . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.54 0.21 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.572 HD13 ' HG2' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.905 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 106' ' ' LYS . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.777 ' CD2' HD11 ' A' ' 56' ' ' LEU . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.867 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' OD1' HG22 ' A' ' 41' ' ' THR . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.743 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 57' ' ' LYS . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.807 ' N ' HD13 ' A' ' 56' ' ' LEU . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.793 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.915 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.572 ' HG2' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.64 HD12 ' HE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 33' ' ' LEU . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.86 HD12 HG13 ' A' ' 18' ' ' VAL . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.831 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.816 ' O ' HD12 ' A' ' 15' ' ' ILE . 29.9 mtp . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.503 0.192 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 17' ' ' ILE . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.908 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.695 ' CB ' HD11 ' A' ' 68' ' ' ILE . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.648 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' CYS . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 48' ' ' PHE . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' HD11 ' A' ' 33' ' ' LEU . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.686 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.524 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.3 m-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.66 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 p30 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.265 -0.643 . . . . 0.0 109.265 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.882 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.922 HG13 HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.269 -0.641 . . . . 0.0 109.269 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 116' ' ' LEU . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.607 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.485 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.485 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 15.4 pt20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.757 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? . . . . . 0 N--CA 1.453 -0.318 0 CA-C-O 120.479 0.18 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.923 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 113' ' ' LYS . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.81 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.913 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CB ' HD11 ' A' ' 68' ' ' ILE . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 1.015 HD22 HD21 ' A' ' 56' ' ' LEU . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HG3' HD13 ' A' ' 33' ' ' LEU . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.638 ' SG ' HG12 ' A' ' 39' ' ' VAL . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 115' ' ' LEU . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CH2' HG13 ' A' ' 120' ' ' ILE . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.81 ' HE2' HD23 ' A' ' 115' ' ' LEU . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.015 HD21 HD22 ' A' ' 28' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.892 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.667 ' HD3' HD21 ' A' ' 14' ' ' LEU . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' HD23 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' ARG . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.679 ' HD2' HD22 ' A' ' 109' ' ' LEU . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.81 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.592 ' CD2' HD12 ' A' ' 75' ' ' LEU . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . 0.912 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.81 HD23 ' HE2' ' A' ' 51' ' ' PHE . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ILE . . . . . 0.712 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mtm . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.488 0.185 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.21 161.65 22.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 122.55 175.65 14.76 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.023 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.72 99.39 2.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 0.783 . . . . 0.0 110.304 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.565 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 3.9 m-20 -58.76 141.74 52.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.847 ' HA ' HD12 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -63.13 -47.63 81.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.315 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 5' ' ' ASP . 7.3 p80 -57.02 -56.24 24.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.617 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.7 ttt -42.33 -53.94 3.97 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.502 1.126 . . . . 0.0 111.02 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.847 HD12 ' HA ' ' A' ' 6' ' ' ARG . 15.7 mt -40.07 -48.22 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.401 ' O ' HD23 ' A' ' 14' ' ' LEU . 7.2 ttp-105 -61.03 -61.11 2.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.327 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.729 ' O ' HD12 ' A' ' 15' ' ' ILE . 19.6 mtp -42.7 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 110.991 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.0 OUTLIER -49.46 -43.39 44.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.265 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 9' ' ' ILE . 11.2 mm-40 -56.73 -48.4 77.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.869 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.9 mm? -53.9 -48.95 69.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 11' ' ' MET . 4.5 mp -69.95 -27.57 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -69.59 -64.52 0.86 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.758 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -48.63 -45.36 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.953 HG11 ' CB ' ' A' ' 113' ' ' LYS . 55.0 t -52.78 -58.08 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.96 -33.54 75.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -63.77 -56.32 16.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -63.35 -36.17 82.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.549 ' N ' HD13 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -55.75 -50.55 70.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -52.08 -21.34 3.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 28.1 m-85 -108.03 33.51 4.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.625 HG22 HD12 ' A' ' 28' ' ' LEU . 1.1 t -49.97 -33.95 9.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -55.64 -18.25 7.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.505 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.6 m-20 -113.81 41.22 2.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.049 HD21 HD21 ' A' ' 21' ' ' LEU . 14.6 mt -122.02 118.0 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -86.17 129.86 52.17 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 110.75 3.18 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -143.48 160.31 40.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.83 98.01 0.51 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.725 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -111.4 135.88 21.0 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 128.37 11.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -136.02 110.83 10.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.93 111.51 3.34 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.488 1.783 . . . . 0.0 110.986 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.88 117.87 30.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.295 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 t0 60.56 95.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.584 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -108.59 151.63 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.786 ' OE2' HD13 ' A' ' 92' ' ' LEU . 19.1 tt0 -55.47 160.68 2.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -41.28 -52.58 3.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 110.353 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.79 ' HB2' HD11 ' A' ' 92' ' ' LEU . 4.3 m120 -110.73 56.79 0.62 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.484 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -124.95 -41.75 2.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 108.286 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -36.43 -36.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.54 ' CH2' ' HG3' ' A' ' 80' ' ' PRO . 27.8 m95 -60.76 -58.8 6.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.531 1.144 . . . . 0.0 107.983 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' CYS . 53.6 p -58.88 -21.14 56.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.676 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -85.99 -34.95 20.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 44' ' ' GLU . 74.3 t80 -48.22 -24.23 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -78.5 -34.86 47.13 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.981 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.439 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.3 m -60.12 -24.47 64.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 108.292 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.632 ' CD1' ' CG ' ' A' ' 112' ' ' PHE . 56.2 m-85 -87.77 -8.43 56.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 110.982 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.97 -51.96 5.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -19.23 63.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' CB ' ' CZ ' ' A' ' 108' ' ' PHE . . . -46.38 -47.18 18.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 64.35 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.097 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.786 HD21 HD22 ' A' ' 28' ' ' LEU . 2.7 tm? -72.65 114.3 10.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.288 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -109.57 134.76 51.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.289 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 3.3 p -94.98 153.24 17.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.995 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -49.16 -25.44 2.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 58' ' ' SER . 54.5 m-20 47.57 73.17 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 26.6 p -131.7 6.48 4.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 93.95 110.92 2.19 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.496 1.122 . . . . 0.0 110.961 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.513 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 4.9 m-20 155.69 -86.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.561 0.8 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.761 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.0 m120 -114.74 38.77 3.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 109.299 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -63.91 1.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 110.276 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.1 tpt180 -57.02 -38.7 73.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.877 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -61.81 -48.4 88.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.976 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -47.6 -36.97 5.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -53.8 -20.94 6.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.877 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -75.33 -31.14 23.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 21.5 m -80.89 -37.75 29.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.983 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 80.5 mt -56.94 -53.53 41.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 48.3 mttt -44.27 -65.31 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.758 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.94 -59.1 5.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.49 HD22 ' HB3' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -40.06 -43.18 1.54 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.284 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.58 53.86 1.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.98 138.56 31.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.63 146.48 56.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.117 . . . . 0.0 109.369 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.58 14.27 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.467 1.772 . . . . 0.0 111.022 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.54 ' HG3' ' CH2' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 86.52 1.41 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.482 ' O ' ' C ' ' A' ' 82' ' ' THR . 27.8 m 64.65 148.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 109.984 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.604 ' OG1' ' N ' ' A' ' 83' ' ' ASN . 0.1 OUTLIER 32.21 -96.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 110.408 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.604 ' N ' ' OG1' ' A' ' 82' ' ' THR . 0.1 OUTLIER -176.06 -65.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -130.93 93.73 3.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 72.62 161.86 6.07 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.122 . . . . 0.0 110.972 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.09 -44.1 2.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 0.771 . . . . 0.0 110.278 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.92 81.4 2.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.328 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 44.39 58.94 3.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 1.132 . . . . 0.0 110.313 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.11 -170.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.469 ' N ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -161.12 -89.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.585 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -41.81 -46.42 3.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.3 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.79 HD11 ' HB2' ' A' ' 42' ' ' ASN . 2.3 pp -175.59 159.64 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.3 p -92.76 154.17 18.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 2.7 m -133.24 150.55 75.63 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 108.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -170.48 0.79 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 41.5 m -59.68 176.18 0.3 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.026 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 8.7 t -98.51 -68.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.75 83.6 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.294 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.1 t -134.27 -45.73 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 109.985 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -61.2 -171.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.419 1.074 . . . . 0.0 110.961 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -95.21 160.36 14.58 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.31 176.69 9.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.436 ' CB ' ' CD ' ' A' ' 104' ' ' PRO . 0.1 OUTLIER -162.07 176.71 2.28 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.316 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.436 ' CD ' ' CB ' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.06 174.48 12.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.488 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.97 -44.15 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.535 1.808 . . . . 0.0 111.013 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -53.69 -42.18 67.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -78.73 -51.03 10.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.088 . . . . 0.0 110.319 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.725 ' CD2' HD23 ' A' ' 33' ' ' LEU . 14.1 t80 -47.56 -30.89 3.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.831 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.3 mm? -85.45 -53.85 4.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.98 -18.98 10.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -51.65 4.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.293 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.632 ' CG ' ' CD1' ' A' ' 51' ' ' PHE . 1.7 t80 -51.07 -56.17 13.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.953 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -52.66 -43.68 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.491 1.119 . . . . 0.0 109.297 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -65.32 -54.32 30.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.998 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.439 HD11 ' CG2' ' A' ' 39' ' ' VAL . 0.4 OUTLIER -46.22 -39.72 10.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.814 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.2 mt -65.49 -68.73 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.417 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -58.65 -7.61 1.02 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.541 1.151 . . . . 0.0 110.265 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.484 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.7 OUTLIER -80.6 -65.35 1.02 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.298 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.507 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 10.0 mmt -96.44 -62.78 1.22 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.469 ' CG2' ' HG2' ' A' ' 11' ' ' MET . 1.1 mp -35.91 -59.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.289 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.49 ' ND1' ' N ' ' A' ' 122' ' ' GLN . 1.7 t-80 -46.63 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.625 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.507 ' CG ' ' O ' ' A' ' 119' ' ' MET . 13.1 pt20 -46.14 -36.93 6.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.444 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 5.5 t60 -42.15 -28.14 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 109.587 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.436 ' N ' ' C ' ' A' ' 122' ' ' GLN . 0.1 OUTLIER -92.99 -53.27 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -155.97 133.65 11.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.003 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.36 -77.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.021 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 128' ' ' THR . 1.4 tpt85 72.74 89.64 0.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 127' ' ' ARG . 95.6 m 38.29 90.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -89.47 133.1 34.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.454 1.096 . . . . 0.0 109.611 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 155.98 87.29 0.06 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.563 1.165 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.33 125.92 23.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 0.751 . . . . 0.0 110.009 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 178.95 134.29 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.582 1.176 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -141.9 -55.82 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 110.012 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.505 0.193 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.06 77.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.254 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 63.5 -171.25 15.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.459 1.099 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.2 169.4 24.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.284 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.97 150.07 43.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -69.68 -22.53 63.42 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -82.7 -38.47 23.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 109.616 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.405 ' O ' ' HG2' ' A' ' 11' ' ' MET . 0.7 OUTLIER -63.85 -44.66 92.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.98 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -68.61 -31.64 51.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.469 ' HD2' ' CZ ' ' A' ' 77' ' ' ARG . 14.8 tpp85 -57.7 -40.23 79.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.669 ' O ' HD12 ' A' ' 15' ' ' ILE . 24.0 ptt? -96.45 -46.39 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.966 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.484 ' N ' ' CG ' ' A' ' 11' ' ' MET . 7.0 mtm180 -48.04 -49.48 31.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' O ' HD13 ' A' ' 17' ' ' ILE . 1.9 mt-30 -50.78 -43.63 58.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.567 HD11 ' HD3' ' A' ' 77' ' ' ARG . 83.3 mt -62.87 -65.82 0.63 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.669 HD12 ' O ' ' A' ' 11' ' ' MET . 3.3 mp -40.74 -43.87 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.68 -49.94 60.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.465 HD13 ' O ' ' A' ' 13' ' ' GLN . 1.0 OUTLIER -49.17 -44.59 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.575 HG11 ' HB2' ' A' ' 113' ' ' LYS . 32.2 t -61.75 -66.55 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.28 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -41.44 -39.72 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 109.316 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.528 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.3 OUTLIER -62.0 -47.57 84.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.325 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 28' ' ' LEU . 0.8 OUTLIER -71.93 -33.52 68.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 109.321 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.639 ' O ' HG13 ' A' ' 25' ' ' VAL . 5.0 mtpp -60.27 -45.02 94.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -72.26 -2.87 20.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.691 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.3 m-85 -116.04 6.53 14.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.889 HG12 HD12 ' A' ' 28' ' ' LEU . 7.7 m -41.26 -30.67 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.31 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' N ' ' C ' ' A' ' 24' ' ' TYR . 4.6 t30 -46.14 -25.17 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 58' ' ' SER . 5.3 m-20 -120.95 53.97 1.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.036 HD11 HD11 ' A' ' 21' ' ' LEU . 8.5 mt -121.51 139.57 53.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -103.47 124.79 36.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 116.94 4.74 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.52 1.8 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -144.33 162.02 37.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.115 . . . . 0.0 110.327 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -65.89 93.49 0.19 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.89 HD23 ' CD2' ' A' ' 108' ' ' PHE . 3.0 mp -108.37 130.83 22.26 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.4 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.1 Cg_endo -75.02 98.87 1.2 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.471 1.774 . . . . 0.0 110.968 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -107.44 114.0 61.25 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.541 1.15 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.496 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.05 117.11 4.78 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.16 110.61 22.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 56.29 100.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -106.79 159.4 6.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.428 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 4.6 tt0 -55.62 164.48 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 110.267 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.412 ' O ' ' SD ' ' A' ' 119' ' ' MET . 0.9 OUTLIER -48.07 -49.5 31.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.394 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -116.43 56.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.267 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.51 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.7 t -127.63 -44.07 1.54 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 108.323 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.785 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -40.83 -31.67 0.18 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 21.2 m95 -61.73 -50.76 71.12 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.498 ' N ' ' O ' ' A' ' 43' ' ' CYS . 2.1 m -70.15 -16.68 63.13 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.476 ' HB1' ' HG3' ' A' ' 36' ' ' PRO . . . -86.8 -32.11 20.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -45.27 -24.96 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 99.3 p -69.13 -41.96 76.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 47' ' ' ALA . 4.2 m -50.4 -48.03 56.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 108.298 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.734 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 74.6 m-85 -63.92 -22.72 67.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 110.953 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.461 ' CG ' ' O ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -81.71 -40.02 23.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.81 -33.57 46.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.803 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.59 -55.44 2.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 65.4 92.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.856 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -72.97 125.93 28.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.2 tptm -121.94 150.32 42.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 109.354 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 6.5 p -98.12 156.16 16.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.516 1.135 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.13 -19.82 8.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' CG ' ' O ' ' A' ' 58' ' ' SER . 0.3 OUTLIER 62.98 47.44 4.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.352 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 18.3 p -144.06 26.86 1.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.42 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -155.69 161.26 30.5 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.415 ' C ' ' N ' ' A' ' 65' ' ' GLU . 2.2 t30 -58.06 -48.68 79.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.299 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.494 ' O ' HG22 ' A' ' 67' ' ' ILE . 15.6 m-20 -42.38 -29.47 0.27 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.9 tm-20 -37.4 -42.87 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.32 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 66' ' ' ARG . 0.2 OUTLIER -72.21 -55.2 7.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.305 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.864 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -51.64 -46.08 37.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.792 HG13 HD23 ' A' ' 21' ' ' LEU . 1.1 mp -47.12 -38.64 4.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 55.8 t-20 -51.32 -22.2 2.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.864 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -75.77 -33.43 26.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.465 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 16.8 m -77.66 -16.12 58.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.961 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.2 mt -82.7 -66.21 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.29 -36.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' CB ' HG12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -80.41 -60.0 2.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 109.327 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.465 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -41.31 -32.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.345 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.5 mttm -81.33 53.96 2.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.567 ' HD3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -90.26 148.78 22.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.339 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.27 151.29 41.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.31 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.4 Cg_endo -75.03 174.94 11.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.778 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.427 ' O ' ' HB ' ' A' ' 82' ' ' THR . 0.4 OUTLIER -59.68 82.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.465 ' O ' ' N ' ' A' ' 84' ' ' ALA . 1.1 t 179.22 -55.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 82' ' ' THR . 3.1 t-20 67.59 -68.34 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.331 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 63.86 88.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 168.17 63.62 0.03 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.15 -65.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -175.92 134.25 0.27 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 56.06 100.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.02 120.7 43.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.464 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.2 t-160 -59.3 -56.7 18.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.866 ' O ' HD12 ' A' ' 92' ' ' LEU . 15.1 mmt180 -59.7 81.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.307 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' O ' ' A' ' 91' ' ' ARG . 1.0 OUTLIER 42.85 -169.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.265 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 8.4 m -131.52 123.86 28.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.35 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 47.1 t -97.33 135.81 21.66 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 108.304 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 79.7 2.62 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 22.8 t 43.85 -166.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 110.008 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -135.5 -51.79 0.75 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 108.323 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.29 -17.6 30.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -15.13 29.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.997 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CE2' ' HA ' ' A' ' 97' ' ' CYS . 17.9 m-85 -89.15 18.21 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 111.032 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 70.64 -167.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 0.0 OUTLIER -107.39 -168.32 1.38 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.562 1.164 . . . . 0.0 109.344 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mttt -173.83 170.16 1.87 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 109.318 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.412 ' O ' ' CB ' ' A' ' 108' ' ' PHE . 18.3 Cg_endo -75.02 173.95 13.63 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 110.995 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.588 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.0 Cg_endo -75.04 -48.26 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -61.6 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 109.342 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.29 -51.58 68.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.331 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.89 ' CD2' HD23 ' A' ' 33' ' ' LEU . 16.6 t80 -47.11 -33.94 5.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.838 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.7 mm? -83.78 -42.05 16.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -64.43 -22.43 66.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.276 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.95 -44.76 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.734 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.0 t80 -56.37 -55.47 33.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.979 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.872 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -49.28 -45.67 45.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.509 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.1 m -61.35 -64.58 0.9 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.992 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.785 HD11 ' HB2' ' A' ' 44' ' ' GLU . 3.2 tm? -37.26 -37.65 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.872 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -66.78 -58.38 5.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.446 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -70.86 -4.25 23.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 110.337 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -86.25 -72.44 0.5 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.489 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -90.98 -67.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 110.991 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.574 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.6 mp -34.87 -38.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.9 t-80 -66.19 -71.4 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 12.6 pt20 -47.14 -40.16 15.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 110.253 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -39.56 -52.22 2.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.117 . . . . 0.0 109.554 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.36 -56.93 8.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -70.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.13 . . . . 0.0 109.98 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.14 78.45 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.13 155.21 1.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.329 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 1.1 t -120.73 68.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.414 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.411 ' O ' ' CG ' ' A' ' 129' ' ' HIS . 5.9 p-80 -160.12 116.66 2.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.582 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.57 139.56 2.66 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.542 1.151 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -144.38 133.64 23.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 0.769 . . . . 0.0 110.025 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.52 81.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -78.33 111.23 14.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.036 179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -81.48 172.14 13.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.89 145.93 12.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.033 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -153.15 74.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -130.86 154.44 48.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 109.343 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.8 -24.27 21.51 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -82.25 -37.97 25.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.563 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.469 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 11.7 mtp -60.97 -41.27 96.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' OE1' ' A' ' 13' ' ' GLN . 1.1 pp -78.64 -18.38 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.36 -32.17 64.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 110.262 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.971 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.9 ptt? -96.25 -32.42 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' HG3' ' A' ' 11' ' ' MET . 7.9 mtm180 -65.3 -63.77 1.02 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.355 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.407 ' OE1' ' O ' ' A' ' 9' ' ' ILE . 5.5 mp0 -45.15 -34.59 2.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.739 ' O ' HG23 ' A' ' 18' ' ' VAL . 5.3 mt -65.38 -69.7 0.28 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.971 HD12 ' O ' ' A' ' 11' ' ' MET . 1.9 mp -46.0 -40.64 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.07 -48.43 65.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.541 HD12 ' HD2' ' A' ' 74' ' ' LYS . 2.1 mt -51.39 -44.74 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.758 HG13 HD12 ' A' ' 109' ' ' LEU . 4.0 t -60.25 -63.54 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -50.35 -23.26 2.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -74.56 -50.92 16.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.27 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -62.17 -46.36 89.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.931 ' O ' HG23 ' A' ' 25' ' ' VAL . 12.6 mtpt -45.57 -57.69 3.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -43.59 -28.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.87 ' HB3' HD11 ' A' ' 68' ' ' ILE . 63.5 m-85 -107.77 48.02 0.87 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.931 HG23 ' O ' ' A' ' 22' ' ' LYS . 4.7 t -71.38 -24.88 24.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -53.7 -19.82 4.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.245 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.471 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -119.04 46.71 1.82 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 21' ' ' LEU . 10.0 mt -120.2 125.79 49.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -92.18 118.6 68.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 109.329 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.5 Cg_endo -74.96 105.85 2.16 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.499 1.789 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -132.3 162.19 31.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 110.319 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -65.86 93.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.849 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -106.93 135.38 19.57 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 135.89 19.71 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.785 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.61 119.4 10.9 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.78 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.02 110.06 3.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.476 1.777 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -95.2 120.36 35.29 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.1 . . . . 0.0 110.313 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 73.06 96.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.797 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -114.16 130.11 68.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.289 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 43' ' ' CYS . 23.4 tt0 -55.59 157.61 3.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 ' C ' ' O ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -37.84 -36.15 0.18 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.504 1.128 . . . . 0.0 110.449 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.409 ' HB2' HD22 ' A' ' 92' ' ' LEU . 4.2 m-20 -119.25 49.64 1.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.722 ' SG ' HG12 ' A' ' 39' ' ' VAL . 2.2 t -125.37 -42.99 1.94 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 108.279 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.72 ' OE1' HD22 ' A' ' 115' ' ' LEU . 22.3 mt-10 -36.03 -36.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.59 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 91.1 m95 -69.37 -58.35 4.11 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 43' ' ' CYS . 45.9 t -55.02 -19.08 6.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.982 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.797 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -85.74 -19.76 30.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.469 ' CE2' ' NE2' ' A' ' 52' ' ' GLN . 60.9 t80 -57.69 -62.36 1.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 52' ' ' GLN . 71.0 p -40.32 -44.03 1.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.516 1.135 . . . . 0.0 109.992 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 15.5 t -43.74 -53.52 5.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.44 1.088 . . . . 0.0 108.301 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 92.9 m-85 -58.81 -29.98 67.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.993 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 49' ' ' SER . 62.0 mm-40 -67.96 -26.57 66.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.277 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 49' ' ' SER . 18.0 mmtt -90.94 -36.39 14.16 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.849 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.08 -50.59 2.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 64.95 100.26 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.612 HD21 HD22 ' A' ' 28' ' ' LEU . 3.2 tm? -79.19 129.87 34.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' HG12 ' A' ' 29' ' ' VAL . 3.6 tptt -127.94 141.4 51.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.685 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -90.94 155.31 18.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.438 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -47.25 -29.26 2.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.446 1.091 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.438 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 9.9 m-80 78.41 62.61 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 4.8 p -119.88 -7.88 9.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.418 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.504 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 87.85 178.49 47.7 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.458 1.099 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 7.6 t30 82.18 -70.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.744 . . . . 0.0 109.274 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.518 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.3 OUTLIER -102.49 -27.89 12.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 64' ' ' ASN . 1.2 tm-20 -37.02 -32.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.158 . . . . 0.0 110.257 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -79.08 -51.59 9.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.256 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.918 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -58.85 -22.24 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.87 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.8 OUTLIER -81.73 -30.46 10.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.488 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -73.04 -4.44 32.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.918 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.4 m -81.02 -31.97 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.556 1.16 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 78.0 p -77.01 -11.63 59.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.488 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.1 mm -68.42 -56.46 12.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -51.73 13.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.27 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.541 ' HD2' HD12 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -68.29 -55.4 12.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.311 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -43.28 -27.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.434 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.8 OUTLIER -90.12 41.1 1.03 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.312 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -78.44 165.78 23.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 110.265 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 2.0 tttt -109.78 145.85 32.85 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.4 Cg_endo -75.01 174.13 13.32 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.508 1.793 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.575 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -87.27 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.467 1.772 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 83' ' ' ASN . 0.2 OUTLIER -119.01 -59.08 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.47 HG23 ' HB3' ' A' ' 45' ' ' TRP . 2.0 t -66.85 69.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.362 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' SER . 4.2 p30 -74.06 -51.89 14.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.625 ' HB2' ' HZ2' ' A' ' 89' ' ' LYS . . . 51.84 -173.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 103.74 62.57 0.68 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.22 -59.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.754 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.01 -62.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 110.338 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.33 149.5 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.625 ' HZ2' ' HB2' ' A' ' 84' ' ' ALA . 0.0 OUTLIER -108.41 -172.98 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 91' ' ' ARG . 1.9 t-160 -125.82 -175.19 3.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.584 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.454 ' CB ' ' O ' ' A' ' 90' ' ' HIS . 0.2 OUTLIER 80.4 0.59 1.94 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.409 HD22 ' HB2' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 175.89 -178.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.406 ' O ' HG22 ' A' ' 93' ' ' THR . 45.5 m -118.45 59.46 0.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.429 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.27 123.24 70.21 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 160.31 40.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.523 1.802 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 96.8 p -80.38 175.17 10.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 46.9 t -104.54 58.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 108.301 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -137.08 -46.79 0.58 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.595 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.4 OUTLIER -73.27 58.42 0.53 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.574 1.171 . . . . 0.0 109.991 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.595 ' CD1' ' O ' ' A' ' 99' ' ' SER . 22.2 m-85 -146.38 -168.24 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -116.44 135.1 54.13 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.18 174.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.1 mttp -159.17 168.3 12.62 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 174.18 13.23 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.465 1.771 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 30' ' ' PRO . 18.3 Cg_endo -74.99 -48.78 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.54 -43.14 16.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -77.53 -55.1 5.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.634 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 34.9 t80 -45.61 -32.86 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.758 HD12 HG13 ' A' ' 18' ' ' VAL . 1.4 mm? -83.27 -48.7 10.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.107 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -20.67 58.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.266 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -90.58 -48.24 7.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 110.35 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.784 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 5.9 t80 -54.1 -53.64 50.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.736 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -48.42 -54.29 14.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.317 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 t -56.77 -50.7 71.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.781 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.6 tm? -46.29 -40.33 11.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.736 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.7 mt -69.99 -53.26 18.51 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.3 pp0? -68.15 -4.82 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 110.272 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 9.3 mtpt -92.82 -73.34 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.59 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -82.06 -67.46 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.573 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.2 mp -38.96 -30.73 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.464 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 8.8 t-160 -71.22 -71.4 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.575 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 13.6 pt20 -43.32 -33.52 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.347 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -42.05 -55.15 3.29 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.552 1.157 . . . . 0.0 109.594 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 12.5 tp -97.04 -56.89 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 3.8 t -100.48 86.1 3.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.974 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 50.0 m -43.17 -63.93 0.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 110.018 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 64.24 115.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 110.334 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 18.8 m -52.57 134.67 35.26 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.113 . . . . 0.0 110.354 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -51.04 121.77 6.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.637 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 168.03 93.96 0.09 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.448 1.093 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -88.56 134.49 33.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.777 . . . . 0.0 109.968 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -73.71 82.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.63 133.33 41.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 110.0 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptm . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.487 0.184 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 75.27 0.42 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.536 1.148 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -167.33 78.71 0.11 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.506 1.129 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -138.56 78.77 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 0.742 . . . . 0.0 110.287 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.411 ' C ' ' N ' ' A' ' 7' ' ' HIS . 0.4 OUTLIER -99.53 142.74 30.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -44.73 -26.08 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.092 . . . . 0.0 110.311 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' N ' ' C ' ' A' ' 5' ' ' ASP . 48.8 m170 -88.89 -49.25 6.92 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.623 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.9 ttm -50.92 -39.61 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.4 pp -76.86 -31.0 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.54 74.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.759 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.5 ptp -95.51 -44.96 7.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 110.984 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' N ' ' CG ' ' A' ' 11' ' ' MET . 41.8 mtp180 -54.76 -53.66 52.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.425 ' O ' HD12 ' A' ' 17' ' ' ILE . 63.0 mm-40 -44.45 -39.62 4.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.292 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 ' O ' HG23 ' A' ' 18' ' ' VAL . 8.0 mt -68.65 -66.03 0.63 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.759 HD12 ' O ' ' A' ' 11' ' ' MET . 2.3 mp -46.22 -41.16 4.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -68.71 -45.21 72.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.44 HD13 ' CB ' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -53.17 -42.22 45.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.821 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.33 -56.81 13.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.39 -22.65 4.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tp60 -78.11 -48.35 16.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.827 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.3 OUTLIER -69.16 -42.41 75.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.573 1.17 . . . . 0.0 109.273 -179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.51 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 2.5 mtmp? -60.01 -28.61 67.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.425 1.078 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.6 -14.4 30.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 13.1 m-85 -124.23 35.63 4.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 110.982 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.544 HG22 HD12 ' A' ' 28' ' ' LEU . 0.9 OUTLIER -49.34 -34.43 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.335 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -54.92 -19.09 5.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' O ' ' HA ' ' A' ' 58' ' ' SER . 1.4 m-20 -114.91 43.0 2.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 109.358 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.98 HD22 HD21 ' A' ' 56' ' ' LEU . 12.1 mt -122.95 121.64 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' CD ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -80.57 118.49 72.63 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.517 1.798 . . . . 0.0 111.056 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -142.19 162.45 35.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 110.336 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -65.27 93.17 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.4 OUTLIER -107.2 135.81 19.59 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.3 Cg_endo -74.96 118.6 5.33 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.509 1.794 . . . . 0.0 110.965 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.63 124.1 13.32 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 122.51 7.26 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.52 1.8 . . . . 0.0 111.045 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 5.8 pt-20 -101.07 115.29 30.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 60.35 100.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.682 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -113.94 148.57 16.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 12.7 tt0 -56.0 157.03 4.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.491 1.12 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.28 -41.95 29.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.403 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -106.16 41.26 1.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.3 m -130.14 -41.02 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 108.284 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' A' ' 115' ' ' LEU . 1.8 mt-10 -36.93 -31.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.271 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' CYS . 88.8 m95 -76.49 -58.43 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 108.004 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' CYS . 59.7 p -53.52 -20.8 5.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 109.97 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.682 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.95 -22.75 25.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 45' ' ' TRP . 34.9 t80 -51.85 -24.31 6.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.966 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.52 -33.19 48.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 110.001 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -51.16 -51.02 57.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 108.262 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 112' ' ' PHE . 87.5 m-85 -61.23 -30.98 70.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.123 . . . . 0.0 111.031 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.49 -28.45 65.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.299 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -84.15 -35.93 23.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.691 ' HB3' ' CE1' ' A' ' 108' ' ' PHE . . . -65.68 113.24 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' O ' HD21 ' A' ' 33' ' ' LEU . 4.3 tt0 -99.42 128.81 45.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.98 HD21 HD22 ' A' ' 28' ' ' LEU . 3.4 tm? -93.16 134.77 34.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.519 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -138.8 140.19 38.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.445 ' N ' ' HG2' ' A' ' 57' ' ' LYS . 0.2 OUTLIER -73.11 161.34 30.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.546 1.154 . . . . 0.0 110.005 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.487 ' HB3' HG23 ' A' ' 61' ' ' THR . . . -81.81 47.26 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 59' ' ' ALA . 2.4 m-80 38.59 30.81 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.338 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 59' ' ' ALA . 1.9 p -73.94 -31.95 63.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 65' ' ' GLU . . . 84.1 -46.69 3.7 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.475 1.11 . . . . 0.0 110.987 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 62' ' ' GLY . 0.8 OUTLIER -40.06 -73.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.323 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.704 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -110.04 44.95 1.15 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.376 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.429 ' HB2' ' CA ' ' A' ' 62' ' ' GLY . 0.4 OUTLIER -82.73 -52.89 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.596 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -67.73 -39.71 84.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 110.335 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.839 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.0 tp -65.24 -13.02 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.302 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.704 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.5 OUTLIER -87.66 -46.1 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 109.344 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.629 ' HA ' HD12 ' A' ' 72' ' ' ILE . 2.1 t30 -52.35 -35.32 50.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -54.13 -34.52 27.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 34.9 m -77.61 -37.3 50.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.007 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.629 HD12 ' HA ' ' A' ' 69' ' ' ASN . 87.3 mt -50.12 -55.35 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.451 1.094 . . . . 0.0 109.289 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -42.99 -65.39 0.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.44 ' CB ' HD13 ' A' ' 17' ' ' ILE . 3.0 mmtp -55.77 -53.84 51.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.292 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.433 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -41.72 -33.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -87.93 47.39 1.49 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.52 160.21 22.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.303 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.01 147.59 34.75 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.44 ' CG ' ' HA ' ' A' ' 83' ' ' ASN . 18.1 Cg_endo -75.01 166.15 29.8 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.536 1.809 . . . . 0.0 110.991 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.444 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.97 119.67 5.75 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.473 1.775 . . . . 0.0 111.014 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 m 47.79 72.85 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.017 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 HG22 ' H ' ' A' ' 84' ' ' ALA . 2.0 m 63.46 150.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 110.351 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.44 ' HA ' ' CG ' ' A' ' 79' ' ' PRO . 13.9 p-10 -60.36 -45.98 91.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.455 ' H ' HG22 ' A' ' 82' ' ' THR . . . -148.94 -59.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -176.13 -179.84 46.83 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.514 1.134 . . . . 0.0 111.012 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -86.01 100.31 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.63 123.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 58.69 175.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.265 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.6 118.06 4.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.513 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -79.04 -53.5 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 109.583 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.627 ' HB3' HD12 ' A' ' 92' ' ' LEU . 1.3 mmt85 -32.6 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.469 1.106 . . . . 0.0 110.267 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.627 HD12 ' HB3' ' A' ' 91' ' ' ARG . 1.3 mp -143.38 135.71 27.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 7.2 m -92.07 133.49 35.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 17.1 m -129.17 151.34 77.57 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.552 1.157 . . . . 0.0 108.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -74.98 129.15 12.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.49 -174.3 0.19 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 0.0 110.008 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 63.0 m -71.38 -21.08 62.06 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 108.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.96 -27.65 67.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -111.34 78.9 1.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.972 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.535 ' CG ' ' O ' ' A' ' 99' ' ' SER . 1.6 m-85 -175.19 -37.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 111.025 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.531 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.8 tt0 88.75 141.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' NZ ' ' HB3' ' A' ' 34' ' ' PRO . 6.9 mmpt? -59.19 -175.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -171.37 167.15 3.99 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.256 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 174.72 12.3 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.959 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.03 -46.14 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.539 1.81 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.98 -47.19 44.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.3 OUTLIER -73.26 -53.62 10.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.71 ' CD2' HD23 ' A' ' 33' ' ' LEU . 7.1 t80 -42.25 -39.19 2.0 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.827 ' CD1' HD21 ' A' ' 21' ' ' LEU . 3.6 mm? -82.37 -39.82 22.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -65.67 -21.41 66.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 110.322 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -91.57 -44.77 8.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.319 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.682 ' CD1' ' CD1' ' A' ' 51' ' ' PHE . 8.0 t80 -60.46 -57.58 12.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.873 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -51.59 -50.1 60.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.438 1.086 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.5 m -55.97 -62.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.986 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.58 HD21 ' HB3' ' A' ' 44' ' ' GLU . 2.6 tm? -38.05 -44.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.08 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.873 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.7 mt -59.29 -61.87 2.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.578 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.9 OUTLIER -67.26 -4.75 11.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -82.67 -72.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.497 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 6.9 tpt -94.93 -62.2 1.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.59 -44.84 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.578 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -58.33 -72.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.554 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.497 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 7.3 pt20 -42.81 -28.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.265 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.44 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 11.5 t60 -43.54 -31.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.639 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.505 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.8 tm? -95.97 -53.54 3.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 124' ' ' LEU . 1.6 t 80.04 -68.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 110.011 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 127' ' ' ARG . 0.2 OUTLIER 170.61 158.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.009 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 126' ' ' SER . 3.8 ptt-85 36.06 52.36 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 110.322 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m 63.83 149.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 110.4 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . 0.405 ' CD2' ' HB2' ' A' ' 131' ' ' SER . 0.4 OUTLIER -80.55 177.15 9.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.614 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.83 65.24 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.526 1.141 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . 0.405 ' HB2' ' CD2' ' A' ' 129' ' ' HIS . 0.4 OUTLIER 54.64 171.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.78 . . . . 0.0 110.023 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -156.46 168.61 26.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.314 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -48.04 -53.08 17.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.02 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.564 ' O ' HG21 ' A' ' 128' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.541 0.21 . . . . 0.0 111.029 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -91.17 120.42 32.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -115.62 -120.04 3.28 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.138 . . . . 0.0 110.988 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 -128.77 143.62 50.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 110.255 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.14 158.59 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.113 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.26 -29.61 54.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.252 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -77.18 -28.87 54.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.578 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.404 ' O ' ' CG ' ' A' ' 11' ' ' MET . 6.8 ttm -76.92 -46.68 23.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 pp -63.05 -32.86 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 1.034 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.9 ttm180 -52.47 -39.01 60.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.332 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.776 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? -94.42 -38.58 10.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.492 ' N ' ' HG3' ' A' ' 11' ' ' MET . 2.9 ttp85 -55.16 -49.1 72.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 13.8 mm-40 -61.09 -46.21 91.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.034 HD23 ' O ' ' A' ' 10' ' ' ARG . 3.6 mm? -45.85 -56.56 5.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.776 HD12 ' O ' ' A' ' 11' ' ' MET . 2.9 mp -69.36 -26.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' ' 12' ' ' ARG . 5.7 t70 -67.01 -65.09 0.72 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.47 1.107 . . . . 0.0 109.326 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -49.71 -40.12 15.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.323 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.953 HG23 ' O ' ' A' ' 14' ' ' LEU . 53.3 t -52.72 -66.15 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.483 1.115 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -54.49 -24.94 22.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -74.04 -51.92 14.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -67.88 -38.43 83.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.108 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.851 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.5 ttpt -58.99 -50.44 74.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -56.27 -18.74 11.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.469 ' CZ ' HG21 ' A' ' 67' ' ' ILE . 13.8 m-85 -106.14 23.92 13.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.991 HG22 HD12 ' A' ' 28' ' ' LEU . 2.8 t -48.04 -30.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -50.46 -22.53 1.95 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.484 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.11 48.04 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.073 HD21 HD21 ' A' ' 21' ' ' LEU . 15.6 mt -121.89 123.4 41.64 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -90.79 122.15 67.24 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -75.04 111.64 3.37 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 0.0 110.975 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -142.87 162.95 34.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.317 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -64.93 93.34 0.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 110.963 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.85 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.6 OUTLIER -102.92 127.23 30.41 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.296 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 124.25 8.45 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.5 1.789 . . . . 0.0 110.963 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.53 124.82 13.88 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.644 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.97 122.07 6.99 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.538 1.81 . . . . 0.0 111.014 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -99.4 126.72 45.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.29 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 53.81 101.32 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.795 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -116.13 151.07 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.296 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 17.2 tt0 -55.06 165.39 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.353 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.526 HG22 ' OD1' ' A' ' 42' ' ' ASN . 1.3 m -51.3 -50.47 59.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.526 ' OD1' HG22 ' A' ' 41' ' ' THR . 4.4 m120 -104.16 41.57 1.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.306 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.564 ' SG ' HG12 ' A' ' 39' ' ' VAL . 16.1 t -130.62 5.74 4.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 108.304 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.841 ' O ' HD11 ' A' ' 115' ' ' LEU . 4.2 mt-10 -76.75 -12.98 60.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.567 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 92.2 m95 -93.88 -54.16 3.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 108.012 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.0 t -54.12 -23.01 12.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.795 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.63 -23.25 37.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.571 ' CE1' ' CG ' ' A' ' 52' ' ' GLN . 41.0 t80 -53.7 -39.39 65.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.78 -43.59 85.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 110.006 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -43.45 93.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 108.32 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.632 ' O ' ' HB3' ' A' ' 54' ' ' ALA . 22.2 m-85 -67.57 -42.92 81.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 111.005 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.571 ' CG ' ' CE1' ' A' ' 48' ' ' PHE . 93.3 mm-40 -63.89 -56.24 16.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.307 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -53.53 -32.65 51.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.654 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -41.75 -52.39 3.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 64.71 114.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.785 HD21 HD22 ' A' ' 28' ' ' LEU . 3.0 tm? -82.76 140.28 33.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.772 ' N ' HD13 ' A' ' 56' ' ' LEU . 3.4 tptm -132.79 127.72 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 14.7 p -86.07 155.46 20.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.7 -18.99 14.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.164 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 54.95 63.42 2.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.466 1.104 . . . . 0.0 109.256 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -145.81 20.87 1.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.389 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -159.06 -175.35 29.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.49 1.119 . . . . 0.0 110.974 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -75.87 -35.28 59.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.469 ' H ' ' ND2' ' A' ' 64' ' ' ASN . 5.3 m-80 -44.17 -29.63 0.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -38.48 -32.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.774 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -85.19 -45.08 12.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.299 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.777 ' O ' HG22 ' A' ' 70' ' ' VAL . 2.7 tp -63.93 -11.17 8.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.821 HG13 HD23 ' A' ' 21' ' ' LEU . 0.7 OUTLIER -87.58 -51.0 13.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' N ' HG22 ' A' ' 68' ' ' ILE . 15.5 t30 -51.35 -38.23 52.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.107 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.777 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.0 m -56.12 -35.3 41.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.147 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.5 m -82.48 -24.68 34.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.025 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 56.2 mt -73.68 -55.43 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.33 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -46.32 -39.72 10.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.08 -54.13 6.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 0.2 OUTLIER -48.1 -32.31 6.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -79.6 54.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.43 160.6 16.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.75 150.14 36.46 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 173.11 15.07 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.456 1.766 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.98 113.7 3.85 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.536 1.808 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.48 -67.31 0.21 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 109.986 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' PRO . 13.8 t -165.7 137.98 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 110.397 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -48.15 -51.54 24.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.33 128.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 146.89 60.14 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.54 1.15 . . . . 0.0 110.963 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 179.17 -63.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 0.733 . . . . 0.0 110.264 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.25 140.01 41.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 65.61 149.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.327 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.9 tttt 73.87 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 13.0 t-160 -84.06 50.67 1.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.501 1.126 . . . . 0.0 109.608 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.2 mtt85 -93.8 6.22 49.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.311 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 42' ' ' ASN . 0.4 OUTLIER 178.61 148.02 0.19 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 29.6 p -80.5 -77.97 0.18 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.386 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.402 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 39.4 t 65.43 135.21 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 108.288 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 94' ' ' CYS . 18.4 Cg_endo -75.02 161.06 39.32 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.512 1.796 . . . . 0.0 110.995 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.5 m -83.21 163.38 20.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.964 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -83.86 95.54 8.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 108.286 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -162.95 -64.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.3 t -70.35 62.57 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.949 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.9 m-85 -147.11 -45.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 0.6 OUTLIER 86.02 151.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 0.0 110.327 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -71.65 169.11 16.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -150.91 173.23 4.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.19 13.22 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.493 1.786 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.563 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -38.06 1.75 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.73 -41.5 73.97 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -53.32 7.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.305 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.85 ' CD2' HD23 ' A' ' 33' ' ' LEU . 4.6 t80 -42.33 -35.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.757 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.9 mm? -85.47 -50.67 7.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -51.08 -26.27 6.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.263 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 1.2 ttt85 -91.43 -49.29 6.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.239 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.899 ' CE2' HD11 ' A' ' 116' ' ' LEU . 73.3 t80 -45.55 -60.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 110.994 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.965 ' HA ' HD12 ' A' ' 116' ' ' LEU . 13.5 tttt -45.57 -49.4 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.333 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 2.6 t -55.76 -55.38 33.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.841 HD11 ' O ' ' A' ' 44' ' ' GLU . 2.8 tm? -48.48 -38.4 19.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.965 HD12 ' HA ' ' A' ' 113' ' ' LYS . 2.2 mt -70.84 -61.7 1.67 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.469 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 1.2 pp0? -61.56 -7.39 3.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 110.327 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -90.51 -70.57 0.67 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.248 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.474 ' O ' ' C ' ' A' ' 120' ' ' ILE . 10.3 tpt -85.86 -67.74 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 1.115 . . . . 0.0 110.967 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.56 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -35.02 -57.77 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.304 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.469 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 2.6 t-80 -39.75 -54.92 2.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.596 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.3 mm100 -40.45 -41.07 1.34 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.117 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.458 ' CE1' HH22 ' A' ' 10' ' ' ARG . 3.9 t60 -41.31 -37.52 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.135 . . . . 0.0 109.633 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.65 -58.7 1.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.93 67.42 0.97 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 110.048 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.5 m 41.19 85.19 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.99 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -166.62 148.17 6.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.564 HG21 ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -150.81 149.44 29.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.424 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -111.77 123.86 51.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.556 1.16 . . . . 0.0 109.611 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -71.31 101.11 0.93 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.554 1.159 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 31.6 p -168.82 108.16 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 0.735 . . . . 0.0 110.004 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -136.48 -61.96 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -81.02 -56.81 3.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 1.144 . . . . 0.0 109.338 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 18.2 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.137 . . . . 0.0 109.99 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.488 0.185 . . . . 0.0 110.999 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -137.43 68.48 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.322 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 60.09 175.13 1.04 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.512 1.133 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -92.42 158.65 15.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -56.07 150.87 13.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.56 -7.7 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.498 ' NE2' ' CZ ' ' A' ' 10' ' ' ARG . 1.4 t-160 -84.48 -61.59 1.76 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.577 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.2 ptm -44.73 -39.08 4.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.963 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.74 -34.64 28.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' CZ ' ' NE2' ' A' ' 7' ' ' HIS . 44.3 ttp180 -50.96 -21.48 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.553 ' HE2' HD13 ' A' ' 124' ' ' LEU . 52.5 mtm -86.0 -69.8 0.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' NH1' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -52.66 -33.3 46.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 110.26 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.3 mm-40 -70.88 -38.96 73.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.15 . . . . 0.0 110.292 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.726 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.5 mt -61.42 -46.43 90.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -65.73 -39.81 85.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.48 -45.86 74.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.132 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.402 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.3 OUTLIER -51.56 -53.07 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.883 HG13 HD12 ' A' ' 109' ' ' LEU . 42.4 t -55.66 -58.23 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -52.94 -36.23 59.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -57.03 -52.84 63.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.566 1.166 . . . . 0.0 110.317 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -61.9 -46.57 88.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.925 ' O ' HG23 ' A' ' 25' ' ' VAL . 10.3 mtmm -53.43 -43.69 68.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 109.303 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.9 t30 -60.44 -16.45 36.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.673 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.5 m-85 -112.22 29.94 7.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.039 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.925 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.4 t -51.17 -28.8 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -53.03 -21.56 4.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.425 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 1.8 m-20 -118.52 44.9 2.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.042 HD21 HD21 ' A' ' 21' ' ' LEU . 13.1 mt -121.4 141.66 50.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.5 OUTLIER -108.65 124.32 34.69 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 29' ' ' VAL . 18.5 Cg_endo -74.93 103.74 1.78 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.463 1.77 . . . . 0.0 111.036 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -130.78 162.15 30.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 110.302 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -65.69 93.52 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.158 . . . . 0.0 110.986 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.962 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -105.7 128.23 26.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 0.0 109.272 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 134.22 17.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.513 1.796 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.33 121.05 11.86 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.549 1.156 . . . . 0.0 109.271 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.741 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -75.01 116.21 4.52 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.473 1.775 . . . . 0.0 110.955 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -98.91 125.22 44.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t0 58.53 91.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.654 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -112.2 143.92 21.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 0.0 109.34 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 19.5 tt0 -55.96 163.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.285 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.75 -12.55 17.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 110.423 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.58 24.04 6.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.27 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' TRP . 11.8 t -117.09 -37.82 3.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.274 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.743 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.23 -32.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CZ3' HG13 ' A' ' 120' ' ' ILE . 92.8 m95 -75.52 -60.55 2.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 107.988 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -51.0 -21.87 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.741 ' HB1' ' CG ' ' A' ' 36' ' ' PRO . . . -82.9 -32.36 27.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.443 ' N ' ' O ' ' A' ' 45' ' ' TRP . 5.7 t80 -42.72 -46.88 5.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 111.018 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 95.6 p -57.69 -43.8 85.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -49.62 -47.35 49.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 108.321 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 40.0 m-85 -65.81 -34.51 78.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.54 -44.11 62.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.256 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -63.46 -29.8 71.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.134 . . . . 0.0 109.252 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.939 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.24 -47.71 17.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 65.16 105.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.288 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.685 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -74.59 129.93 38.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.22 135.06 54.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.302 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.2 p -87.81 159.54 18.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.508 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -57.36 -17.75 14.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.508 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 6.1 m-20 83.25 -64.48 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 62.1 p -67.17 69.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 0.0 110.379 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -158.71 -166.44 17.81 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.521 1.138 . . . . 0.0 111.031 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -110.62 -46.37 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.545 ' HB3' HG22 ' A' ' 67' ' ' ILE . 6.7 m120 -59.68 -16.23 25.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.411 ' C ' ' O ' ' A' ' 64' ' ' ASN . 3.7 tm-20 -37.65 -34.11 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.337 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -85.27 -47.21 10.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -63.28 -14.57 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.916 HG13 HD23 ' A' ' 21' ' ' LEU . 1.0 OUTLIER -77.64 -35.46 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -57.17 -21.07 30.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.2 m -70.31 -33.87 56.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 109.253 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 1.2 m -83.6 -21.23 32.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.982 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 42.8 mt -72.77 -64.35 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -48.02 -31.67 5.68 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.94 -60.13 2.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.76 HD12 ' CE2' ' A' ' 112' ' ' PHE . 0.4 OUTLIER -44.62 -31.06 1.03 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.11 55.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.51 133.99 37.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.293 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.32 152.24 38.62 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 160.01 40.63 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.505 1.792 . . . . 0.0 110.977 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 125.08 9.11 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.529 1.805 . . . . 0.0 111.024 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.16 -63.76 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.032 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.404 HG23 ' H ' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -173.54 -53.06 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.408 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 7.2 p30 -177.79 -43.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.288 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.461 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 177.64 74.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 109.337 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -124.59 -83.19 0.55 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -50.27 158.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 0.795 . . . . 0.0 110.309 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 63.21 161.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -39.98 138.95 0.73 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.329 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.521 ' HB3' HD11 ' A' ' 92' ' ' LEU . 4.4 mttt -171.22 166.67 7.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.268 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' O ' ' C ' ' A' ' 91' ' ' ARG . 0.6 OUTLIER -169.86 -173.59 1.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.597 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 90' ' ' HIS . 68.7 mtt180 37.99 36.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.521 HD11 ' HB3' ' A' ' 89' ' ' LYS . 2.5 mt -84.35 115.41 22.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.684 HG22 ' N ' ' A' ' 94' ' ' CYS . 2.6 m -158.74 -100.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.385 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.684 ' N ' HG22 ' A' ' 93' ' ' THR . 2.0 t 65.06 139.93 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 108.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -162.86 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.498 1.789 . . . . 0.0 110.997 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 98' ' ' ASP . 0.3 OUTLIER -101.71 157.26 16.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.985 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 1.1 t -76.39 75.64 3.15 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 0.0 108.299 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.4 ' OD1' ' O ' ' A' ' 96' ' ' SER . 0.3 OUTLIER -142.5 -47.74 0.34 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.589 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 80.1 p -69.19 69.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' CD1' ' C ' ' A' ' 99' ' ' SER . 66.7 m-85 -162.38 -165.04 1.11 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.406 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 14.0 pt-20 -137.4 -165.35 1.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 110.333 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 3.4 mmpt? -108.24 153.48 23.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 mmtm -139.19 166.14 26.88 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.9 13.72 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.546 1.814 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.412 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.5 Cg_endo -74.95 -39.51 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.457 1.767 . . . . 0.0 111.036 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.33 -47.83 62.56 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 108' ' ' PHE . 5.7 tm-20 -76.94 -59.59 2.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.573 1.17 . . . . 0.0 110.337 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.962 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -37.09 -33.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.883 HD12 HG13 ' A' ' 18' ' ' VAL . 1.6 mm? -85.44 -53.52 5.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -55.87 -23.29 30.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -89.18 -51.02 5.8 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.167 . . . . 0.0 110.246 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.76 ' CE2' HD12 ' A' ' 75' ' ' LEU . 31.6 t80 -53.51 -46.14 69.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 111.017 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.589 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -62.97 -42.6 99.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.268 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.6 t -62.2 -52.77 62.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.839 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -62.47 -37.17 84.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.858 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.2 OUTLIER -69.37 -31.86 70.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.468 ' HB3' ' CG1' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -96.96 -2.55 43.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 110.323 179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.526 ' N ' ' O ' ' A' ' 114' ' ' SER . 27.6 tttt -94.23 -71.98 0.64 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -80.42 -69.86 0.56 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.804 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.1 mp -36.31 -56.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.538 ' CE1' ' HB3' ' A' ' 11' ' ' MET . 1.3 t60 -40.49 -49.75 2.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.61 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 mm100 -37.68 -31.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.308 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.441 ' N ' ' O ' ' A' ' 121' ' ' HIS . 65.9 t60 -38.87 -44.23 1.03 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 109.611 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.553 HD13 ' HE2' ' A' ' 11' ' ' MET . 0.2 OUTLIER -98.84 -49.24 4.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 1.1 m 64.84 179.24 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.958 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 31.8 m 61.68 116.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.483 ' C ' HG22 ' A' ' 128' ' ' THR . 0.0 OUTLIER 69.27 126.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.09 . . . . 0.0 110.287 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.483 HG22 ' C ' ' A' ' 127' ' ' ARG . 0.0 OUTLIER 173.04 -38.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 110.38 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.05 166.86 5.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.611 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -159.8 -111.67 0.29 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.421 1.075 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.8 p 60.65 162.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 0.76 . . . . 0.0 109.976 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.01 -61.0 1.65 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -158.02 163.6 37.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.112 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 CA-C-O 120.494 0.188 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -140.02 107.64 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 123.65 47.59 0.25 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.024 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -145.51 127.82 15.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 0.746 . . . . 0.0 110.278 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 62.5 124.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.451 ' O ' ' CG1' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.0 -18.62 32.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.497 1.123 . . . . 0.0 110.29 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.528 ' HB2' HD23 ' A' ' 124' ' ' LEU . 0.7 OUTLIER -89.86 -45.78 9.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.565 1.166 . . . . 0.0 109.578 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.5 ttp -53.41 -40.01 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.995 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.451 ' CG1' ' O ' ' A' ' 6' ' ' ARG . 2.0 pt -52.91 -34.89 21.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -91.7 -23.04 19.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.83 ' O ' HD12 ' A' ' 15' ' ' ILE . 9.2 tmm? -68.42 -63.52 1.04 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.103 . . . . 0.0 111.051 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 29.7 mmm180 -55.85 -56.02 25.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -38.95 -42.72 0.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.3 mt -68.96 -68.52 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.137 . . . . 0.0 109.315 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 11' ' ' MET . 3.1 mp -42.98 -38.95 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.03 -50.96 43.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.789 HD13 ' CB ' ' A' ' 74' ' ' LYS . 1.3 mt -53.44 -48.34 57.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.706 HG13 HD12 ' A' ' 109' ' ' LEU . 51.3 t -54.89 -61.72 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -42.53 53.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -54.65 -42.97 71.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.988 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -72.74 -39.9 66.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.256 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.866 ' O ' HG23 ' A' ' 25' ' ' VAL . 6.3 mtpt -54.19 -54.62 37.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -48.1 -24.98 1.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.619 ' CE2' HG21 ' A' ' 67' ' ' ILE . 11.6 m-85 -107.0 43.15 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.866 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.8 t -65.44 -30.16 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.509 1.131 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -54.67 -20.07 7.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.33 42.71 2.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.537 1.148 . . . . 0.0 109.29 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.988 ' CD2' HD21 ' A' ' 21' ' ' LEU . 14.1 mt -122.32 124.89 44.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.5 OUTLIER -90.32 122.04 67.86 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.27 3.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.436 1.756 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HD13 ' A' ' 33' ' ' LEU . 9.4 pt-20 -142.14 163.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -64.55 92.86 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.821 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -105.97 126.4 30.73 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.266 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 117.54 4.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.601 ' HB2' ' HD1' ' A' ' 108' ' ' PHE . . . -136.11 117.86 11.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.577 ' HD2' ' CE2' ' A' ' 51' ' ' PHE . 18.3 Cg_endo -75.03 121.04 6.32 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.533 1.807 . . . . 0.0 110.99 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -101.26 117.03 34.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 66.88 98.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.277 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.29 155.18 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.556 1.16 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 6.4 tt0 -55.77 164.87 1.01 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 110.283 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.07 -50.1 15.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.391 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 27.5 m-20 -115.85 55.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.2 m -127.95 -41.74 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 108.331 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.501 ' HA ' HG21 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -39.86 -34.22 0.25 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.306 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.458 ' CZ3' ' HD3' ' A' ' 80' ' ' PRO . 66.1 m95 -64.68 -54.18 35.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 107.981 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 15.4 m -65.93 -13.84 60.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.022 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.623 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -93.9 -31.24 14.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.319 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' GLU . 7.0 t80 -48.04 -34.09 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.994 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.26 -38.28 89.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.3 t -50.71 -50.55 54.93 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.31 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.762 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 73.2 m-85 -59.63 -20.5 56.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.04 -53.6 8.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -26.82 68.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.548 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -49.36 -63.31 1.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.492 ' O ' HD21 ' A' ' 33' ' ' LEU . 40.4 tt0 71.06 137.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 110.299 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.836 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -103.45 141.83 35.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.817 ' N ' HD13 ' A' ' 56' ' ' LEU . 12.4 tptt -133.11 128.11 35.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.416 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -73.82 159.89 32.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.978 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -70.43 -7.62 44.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.306 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 73.46 42.05 0.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.2 p -90.38 -23.88 20.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.436 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 90.42 -178.34 42.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.436 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 2.5 t30 77.34 -70.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.616 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 15.3 m-20 -96.97 -15.51 21.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -43.03 -30.56 0.44 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 0.0 110.282 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.745 ' O ' HG13 ' A' ' 70' ' ' VAL . 3.7 tpt180 -83.62 -44.54 14.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.852 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -65.98 -10.17 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.864 HG13 HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -89.93 -47.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.321 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.507 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.1 t-20 -55.18 -23.9 24.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.852 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.6 m -72.54 -33.06 43.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 68.4 m -73.98 -11.53 60.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.135 . . . . 0.0 110.033 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.507 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.3 mm -72.45 -55.78 12.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtpt -39.74 -66.39 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.317 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.789 ' CB ' HD13 ' A' ' 17' ' ' ILE . 8.6 mptt -56.79 -60.4 3.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.573 HD12 ' CE2' ' A' ' 112' ' ' PHE . 5.3 tp -40.06 -32.49 0.17 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.305 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 72' ' ' ILE . 22.1 mtmt -89.6 52.98 2.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.433 1.083 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -94.82 155.1 16.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.56 151.75 42.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 172.78 15.69 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HG2' HG22 ' A' ' 82' ' ' THR . 18.5 Cg_endo -74.94 -164.06 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.519 1.799 . . . . 0.0 110.986 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.46 -31.38 23.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.467 HG22 ' HG2' ' A' ' 80' ' ' PRO . 2.0 t -83.94 52.43 2.29 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 110.407 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.618 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 16.2 t-20 -83.15 -57.08 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 168.28 -170.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -107.44 -174.64 22.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -46.2 -69.8 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.551 0.795 . . . . 0.0 110.346 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -159.69 27.55 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -150.73 52.81 0.87 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.529 1.143 . . . . 0.0 110.29 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -59.42 92.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.254 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.436 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 3.0 t-160 -78.32 -136.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.577 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.436 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 68.76 -70.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.06 131.03 23.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.284 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 64.9 m -66.14 121.71 15.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.413 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.8 m -117.01 156.12 48.61 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 108.316 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.494 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 18.5 Cg_endo -74.96 104.18 1.86 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 95' ' ' PRO . 0.5 OUTLIER -40.03 -91.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 110.0 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 5.6 m -165.84 -53.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 108.299 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 14.0 p30 -84.01 59.5 5.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -121.47 -44.42 2.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.009 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.494 ' OH ' ' CB ' ' A' ' 95' ' ' PRO . 31.6 m-85 -76.95 -159.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 111.036 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -115.98 17.45 15.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.411 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER 73.3 179.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -161.09 171.18 7.3 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.276 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 175.16 11.61 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.494 1.787 . . . . 0.0 110.973 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.45 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 0.0 110.973 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.93 -44.14 40.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -75.76 -52.69 9.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.821 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.6 t80 -44.75 -34.29 2.21 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 111.059 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.745 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -83.03 -46.78 12.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -19.9 30.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 110.273 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.62 -49.93 5.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.762 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 5.6 t80 -53.51 -53.22 54.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -57.33 -49.37 76.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.5 OUTLIER -58.93 -47.36 85.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.436 HD11 ' CB ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -51.78 -39.0 57.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.91 HD12 ' HA ' ' A' ' 113' ' ' LYS . 3.9 mt -65.69 -61.58 2.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.502 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 1.0 OUTLIER -65.04 -6.18 8.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 110.265 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.9 mtpt -82.12 -70.64 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.495 ' O ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -95.97 -61.75 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 111.036 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.499 ' CD1' ' OE1' ' A' ' 44' ' ' GLU . 1.4 mp -37.42 -54.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.502 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 0.7 OUTLIER -50.27 -71.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.585 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 -47.17 -42.24 19.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -38.98 -41.33 0.75 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.64 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 7' ' ' HIS . 2.2 tm? -73.93 -53.62 9.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -40.36 -73.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.123 . . . . 0.0 109.977 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.94 35.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 45.92 88.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.31 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 19.8 m -71.57 151.35 43.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.431 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.69 -59.39 2.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.623 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 118.05 127.78 3.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.478 1.111 . . . . 0.0 110.975 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.11 138.81 25.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 0.767 . . . . 0.0 109.996 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.16 169.86 23.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -154.31 -56.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.981 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ptp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.541 0.21 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -102.99 171.78 7.19 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.53 -90.79 0.08 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.05 169.45 17.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.317 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.57 98.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 ttt180 -75.82 -13.36 60.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -89.2 -54.2 4.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.466 1.104 . . . . 0.0 109.63 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.409 ' SD ' ' HE3' ' A' ' 11' ' ' MET . 0.3 OUTLIER -37.98 -36.99 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 111.046 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 9' ' ' ILE . 6.3 mm -40.08 -35.84 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.2 tpp180 -47.71 -53.57 14.69 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.602 ' SD ' ' CD2' ' A' ' 121' ' ' HIS . 2.2 ptt? -95.26 -33.39 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 111.039 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.82 -42.88 48.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -63.98 -33.09 74.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.282 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.638 ' O ' HG23 ' A' ' 18' ' ' VAL . 68.5 mt -65.46 -63.17 1.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG23 ' CG ' ' A' ' 113' ' ' LYS . 2.5 mp -48.75 -40.64 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.346 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -67.68 -44.81 76.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.278 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -50.95 -42.06 23.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.72 HG13 HD12 ' A' ' 109' ' ' LEU . 2.8 t -66.29 -59.36 4.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -54.15 -26.76 29.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -68.47 -55.85 10.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.05 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.6 -30.45 70.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.693 ' O ' HG13 ' A' ' 25' ' ' VAL . 20.8 mtpt -61.19 -40.65 94.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.15 -2.24 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.507 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 18.5 m-85 -123.89 18.45 9.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.693 HG13 ' O ' ' A' ' 22' ' ' LYS . 8.0 m -47.52 -36.66 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.529 1.143 . . . . 0.0 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -49.77 -22.12 1.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 63' ' ' ASN . 5.2 m-20 -117.29 50.08 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.05 ' CD2' HD21 ' A' ' 21' ' ' LEU . 12.5 mt -122.09 130.71 53.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.6 OUTLIER -90.14 120.09 69.23 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.3 4.55 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.525 1.802 . . . . 0.0 110.982 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.37 163.05 37.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.103 . . . . 0.0 110.245 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -64.81 93.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.705 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -103.7 126.59 31.53 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 131.41 14.2 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.545 1.813 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.38 142.21 42.04 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.621 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.95 117.39 4.9 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.5 1.79 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.88 111.38 23.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.29 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 53.8 89.3 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.271 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.769 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -96.44 152.13 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 2.3 tt0 -53.61 165.89 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -62.9 -13.41 33.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.36 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.853 ' HB2' HD13 ' A' ' 92' ' ' LEU . 3.7 m120 -136.79 32.84 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB3' ' N ' ' A' ' 40' ' ' GLU . 53.5 t -113.04 -30.1 7.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 108.261 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.544 ' CB ' HD21 ' A' ' 115' ' ' LEU . 42.0 mt-10 -38.27 -29.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CH2' HG13 ' A' ' 120' ' ' ILE . 76.2 m95 -75.84 -57.87 3.62 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 108.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' CYS . 14.4 t -55.18 -20.74 11.25 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.769 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.21 -29.16 42.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -44.93 -33.9 2.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.995 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.5 m -60.93 -42.74 98.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 31.1 m -52.92 -49.65 65.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 108.274 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.728 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 69.7 m-85 -65.36 -20.04 66.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.423 ' OE1' ' HA ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -87.02 -36.33 18.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.19 -34.1 29.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.354 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.698 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -46.95 -51.96 15.75 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 63.84 124.7 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.013 HD21 HD22 ' A' ' 28' ' ' LEU . 2.3 tm? -96.52 137.85 34.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.611 ' H ' HD22 ' A' ' 56' ' ' LEU . 19.6 tptt -132.13 136.23 46.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 60' ' ' ASN . 0.1 OUTLIER -76.45 160.07 29.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.029 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -44.74 -25.28 0.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.515 ' C ' HG22 ' A' ' 61' ' ' THR . 3.3 t-20 82.16 47.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.515 HG22 ' C ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER 169.29 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 110.389 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.23 149.57 47.48 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.424 ' O ' ' CG ' ' A' ' 27' ' ' ASP . 1.8 m120 -52.94 -175.57 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.507 ' CG ' ' CD1' ' A' ' 24' ' ' TYR . 7.7 m-80 47.99 29.53 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.301 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.77 -46.45 53.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.284 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.747 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.4 tpp180 -69.81 -39.31 76.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.807 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.4 tp -69.21 -8.17 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.299 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.714 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -92.39 -44.8 14.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.485 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 6.4 t30 -57.96 -22.19 47.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.807 HG22 ' O ' ' A' ' 67' ' ' ILE . 4.2 m -72.15 -34.71 50.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 91.5 p -70.92 -11.06 60.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 109.993 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.485 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 12.2 mm -72.04 -63.97 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttm -42.67 -53.32 4.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -57.34 13.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.72 -40.55 4.33 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.268 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.423 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 5.8 mttt -75.22 57.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -98.7 142.71 29.92 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -101.27 152.69 38.0 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 173.37 14.6 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.04 -173.81 1.71 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.445 1.76 . . . . 0.0 110.968 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.44 -44.04 2.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.5 t -72.95 57.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -83.32 71.78 10.23 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -46.62 156.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -122.43 -108.02 1.95 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.499 1.125 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -125.4 -67.49 0.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 0.2 OUTLIER -115.26 168.81 9.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 110.3 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 1.4 tt0 85.65 -45.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -45.3 109.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 92' ' ' LEU . 3.0 t-160 -56.88 -41.48 78.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.604 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.866 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -65.06 74.55 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.866 HD12 ' C ' ' A' ' 91' ' ' ARG . 0.5 OUTLIER 62.31 159.54 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.43 1.081 . . . . 0.0 109.29 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.411 ' O ' HG22 ' A' ' 93' ' ' THR . 4.3 m -108.86 76.78 1.03 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 110.374 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.4 t -58.44 142.51 82.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 108.307 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 161.54 38.69 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.993 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.3 m -40.6 160.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.405 ' O ' ' CG ' ' A' ' 98' ' ' ASP . 8.3 t -101.01 58.07 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 108.297 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' A' ' 97' ' ' CYS . 9.3 m-20 167.02 67.9 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.44 1.087 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 p -161.81 58.11 0.26 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -147.38 -63.56 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 111.011 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 172.31 -175.37 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 110.289 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.46 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -108.46 -160.6 0.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER 166.43 164.88 0.11 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.27 13.07 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.525 1.803 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.99 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.1 -57.53 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.4 OUTLIER -66.21 -58.72 4.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 110.267 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.705 ' CD2' HD23 ' A' ' 33' ' ' LEU . 10.7 t80 -39.53 -32.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.86 ' HG ' HD12 ' A' ' 21' ' ' LEU . 1.5 mm? -83.65 -46.07 12.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 107' ' ' GLU . 2.1 tt0 -58.25 -25.14 61.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.316 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -47.73 7.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.271 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.728 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 12.2 t80 -49.06 -54.3 16.55 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.436 1.085 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.843 ' HA ' HD12 ' A' ' 116' ' ' LEU . 4.4 ttpt -48.33 -53.7 16.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.473 ' O ' ' N ' ' A' ' 118' ' ' LYS . 67.2 m -51.68 -61.32 2.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.983 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.6 tm? -38.1 -50.18 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.843 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.4 mt -54.11 -65.21 0.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.246 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.612 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 7.8 pt20 -62.0 -6.95 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 110.298 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -83.0 -68.66 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -95.35 -62.06 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.569 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.3 mp -36.48 -63.81 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.612 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -37.32 -55.36 1.03 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.609 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 119' ' ' MET . 2.2 mm100 -37.39 -44.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 120' ' ' ILE . 6.1 t60 -38.31 -68.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.449 1.093 . . . . 0.0 109.557 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.519 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.2 tm? -50.26 -57.03 8.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 124' ' ' LEU . 1.3 m -38.46 -58.61 1.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.986 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 73.14 -62.09 0.48 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 110.006 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -156.55 -57.08 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 12.4 t -126.69 150.4 49.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -105.63 61.44 0.67 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.572 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -100.15 -167.73 29.17 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.5 t -160.2 105.35 1.51 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.495 0.762 . . . . 0.0 109.954 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' SER . 1.1 mt-10 -78.77 -43.03 26.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.0 t70 60.03 -86.0 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' GLU . 1.1 p . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 mtt . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.529 0.204 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -170.72 45.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.95 -103.24 0.2 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.49 1.118 . . . . 0.0 110.973 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 142.53 57.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.759 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 9' ' ' ILE . 38.6 m-20 -167.59 80.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.3 mtt180 -38.85 -52.12 1.74 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.429 ' CD2' ' H ' ' A' ' 7' ' ' HIS . 4.7 p80 -47.81 -58.53 4.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 109.623 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 ttm -43.71 -62.57 1.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.992 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.599 HD12 ' O ' ' A' ' 5' ' ' ASP . 2.7 mp -44.22 -51.64 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.96 -47.22 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.473 ' O ' HD12 ' A' ' 15' ' ' ILE . 15.9 mtt -63.95 -63.84 1.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.32 -39.39 31.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -63.31 -47.47 82.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.12 . . . . 0.0 110.279 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.746 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.5 mt -53.64 -50.64 65.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.267 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.491 ' CD1' ' CD1' ' A' ' 116' ' ' LEU . 3.4 mp -61.11 -56.13 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.99 -44.26 50.88 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.474 HG22 ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -54.58 -52.79 37.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.934 HG13 HD12 ' A' ' 109' ' ' LEU . 19.5 t -59.66 -60.36 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -48.19 -43.31 31.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.437 1.086 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 22.0 tp60 -54.12 -51.34 64.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -65.71 -42.47 91.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.35 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.554 ' N ' HD13 ' A' ' 21' ' ' LEU . 4.6 mtmt -55.68 -41.47 73.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -61.66 -14.43 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.508 ' CD1' ' CG ' ' A' ' 64' ' ' ASN . 39.7 m-85 -114.06 29.6 7.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.019 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.721 HG22 HD12 ' A' ' 28' ' ' LEU . 1.2 t -49.66 -30.76 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -53.93 -19.67 4.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.315 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.73 45.74 2.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.023 HD22 HD21 ' A' ' 56' ' ' LEU . 8.4 mt -121.59 116.26 24.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.789 HG12 ' O ' ' A' ' 57' ' ' LYS . 7.9 p -81.1 123.71 81.65 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 112.79 3.64 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.478 1.778 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -142.22 162.07 36.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -66.24 93.84 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.795 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -104.77 128.92 25.83 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 134.11 17.41 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.24 133.66 18.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.6 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.4 Cg_endo -74.99 131.54 14.42 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.568 1.825 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -103.11 112.07 24.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 49.27 83.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -83.75 148.23 5.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.479 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 35.8 tt0 -56.07 165.19 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 110.307 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.444 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -44.76 -52.39 8.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.372 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.429 ' OD1' HG22 ' A' ' 41' ' ' THR . 68.6 m-20 -110.95 55.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.479 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -123.75 -37.86 2.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 108.312 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' HG3' ' CD1' ' A' ' 115' ' ' LEU . 2.6 tm-20 -35.53 -35.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.319 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.505 ' CZ3' ' CD ' ' A' ' 80' ' ' PRO . 49.1 m95 -65.12 -59.75 3.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 108.031 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -61.12 -14.56 25.36 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.003 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -90.2 -39.61 12.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -38.8 -51.97 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -49.52 -41.31 40.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 1.8 t -46.43 -42.15 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 108.28 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 112' ' ' PHE . 88.3 m-85 -76.95 -35.26 57.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -46.8 77.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.413 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -70.57 -37.22 73.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.795 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.23 -54.39 1.81 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 65.11 104.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.023 HD21 HD22 ' A' ' 28' ' ' LEU . 2.8 tm? -79.8 128.64 33.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.789 ' O ' HG12 ' A' ' 29' ' ' VAL . 36.3 tptt -110.78 144.07 40.34 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.622 ' HB2' HG21 ' A' ' 68' ' ' ILE . 0.7 OUTLIER -87.84 161.28 17.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.022 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.02 -11.51 19.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.7 -69.29 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 61' ' ' THR . 12.0 t -69.63 62.98 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -145.55 -140.34 3.51 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -135.75 -47.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 0.808 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' CA ' HG22 ' A' ' 67' ' ' ILE . 21.7 m120 -61.25 -15.04 30.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 64' ' ' ASN . 7.1 tm-20 -36.92 -33.84 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.303 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.682 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -80.77 -49.82 10.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.902 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.9 tp -61.86 -13.08 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.86 HG13 HD23 ' A' ' 21' ' ' LEU . 0.6 OUTLIER -86.74 -50.74 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.157 . . . . 0.0 109.319 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -49.54 -29.98 7.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.902 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.6 m -65.59 -33.44 63.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 68' ' ' ILE . 4.6 m -80.83 -51.07 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.553 1.158 . . . . 0.0 109.985 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' C ' ' O ' ' A' ' 71' ' ' SER . 42.9 mt -38.55 -43.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -53.0 -69.68 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.461 ' CB ' ' CD1' ' A' ' 17' ' ' ILE . 0.0 OUTLIER -58.27 -50.42 73.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.333 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.3 -30.68 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.5 OUTLIER -85.2 48.71 1.61 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 25.8 mtt180 -98.1 106.64 18.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.436 1.085 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.433 ' N ' ' HD2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -69.41 165.21 42.21 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 163.98 34.27 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.536 1.808 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.505 ' CD ' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -74.99 178.76 6.83 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 73.5 m -49.9 -31.02 11.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 109.984 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.461 HG22 ' HG2' ' A' ' 80' ' ' PRO . 1.4 t -60.99 -14.4 22.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.392 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -43.81 -69.68 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 62.36 170.72 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -158.53 -158.91 9.29 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -94.76 113.59 25.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 0.772 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -176.54 -62.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.323 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -153.3 -54.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.55 111.24 0.32 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.502 ' O ' ' N ' ' A' ' 92' ' ' LEU . 9.0 t-160 -65.2 -118.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.593 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' N ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 66.3 -64.4 0.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 110.295 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 90' ' ' HIS . 0.7 OUTLIER -145.65 130.79 18.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 9.7 p -116.32 54.09 0.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.429 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 67.2 m -71.64 157.91 88.88 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 108.288 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 96' ' ' SER . 18.0 Cg_endo -75.09 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.498 1.788 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 95' ' ' PRO . 0.4 OUTLIER 163.24 165.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.958 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 13.4 t -92.41 94.35 9.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.127 . . . . 0.0 108.293 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -158.48 -45.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.438 ' C ' ' CD1' ' A' ' 100' ' ' TYR . 44.5 t -70.32 61.6 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.961 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 99' ' ' SER . 50.4 m-85 -154.59 -168.79 3.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 102' ' ' LYS . 0.4 OUTLIER -122.64 139.74 53.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.408 ' N ' ' HG3' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -58.79 -175.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mtmt -165.56 172.89 3.95 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 109.328 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 173.79 13.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.514 1.797 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.47 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.4 Cg_endo -75.02 -48.24 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.987 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.87 -44.01 49.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -76.85 -50.49 13.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.1 . . . . 0.0 110.305 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.683 ' CD2' HD23 ' A' ' 33' ' ' LEU . 44.3 t80 -48.96 -35.59 15.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.934 HD12 HG13 ' A' ' 18' ' ' VAL . 1.8 mm? -80.53 -52.41 7.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.145 . . . . 0.0 109.337 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -55.07 -29.98 58.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.301 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -82.67 -50.31 8.87 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 51' ' ' PHE . 14.9 t80 -52.54 -60.21 3.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.573 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -45.13 -54.75 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 118' ' ' LYS . 1.8 m -58.33 -66.73 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.984 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.484 ' CD1' ' HG3' ' A' ' 44' ' ' GLU . 1.1 tp -43.59 -37.7 2.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.766 HD22 ' O ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -72.36 -47.99 45.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 1.163 . . . . 0.0 109.34 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.626 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.9 OUTLIER -76.99 1.14 18.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.295 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.53 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -95.89 -57.03 2.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.456 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -82.42 -73.19 0.41 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.977 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.737 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.3 mp -41.34 -34.77 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.532 ' CB ' ' O ' ' A' ' 117' ' ' GLN . 23.8 t-80 -69.77 -70.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.576 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 119' ' ' MET . 5.5 pt20 -49.12 -31.37 7.98 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.147 . . . . 0.0 110.309 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.446 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.4 OUTLIER -44.86 -48.52 11.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.601 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.659 HD13 ' C ' ' A' ' 124' ' ' LEU . 1.4 tm? -70.17 -53.97 14.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.97 108.53 7.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.048 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.43 165.74 11.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.989 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -161.13 92.11 0.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.302 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 47.2 p 44.89 -165.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 110.379 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 61.51 115.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 0.0 109.604 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 140.49 84.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 28.1 p -163.15 113.08 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 0.753 . . . . 0.0 110.022 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -177.83 80.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 23.7 t70 179.76 154.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 109.259 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.994 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ttm . . . . . 0 N--CA 1.453 -0.284 0 CA-C-O 120.528 0.204 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER 63.98 88.09 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.127 . . . . 0.0 110.287 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -50.17 121.21 9.48 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.464 1.103 . . . . 0.0 110.941 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -144.56 -67.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.429 0.723 . . . . 0.0 110.326 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -50.8 108.43 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.627 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -73.54 -17.16 61.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.099 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -79.96 -49.9 11.19 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.616 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.512 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 1.0 OUTLIER -44.02 -42.73 6.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.013 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' A' ' 6' ' ' ARG . 10.5 mt -54.27 -49.03 66.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.312 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 1.7 tpm_? -41.84 -67.47 0.26 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.351 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.494 ' O ' HD12 ' A' ' 15' ' ' ILE . 13.6 ptt? -68.0 -49.67 60.17 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 8' ' ' MET . 4.3 mmm180 -43.95 -43.2 6.41 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.267 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -61.22 -42.18 98.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.832 ' O ' HG23 ' A' ' 18' ' ' VAL . 38.9 mt -60.39 -64.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.494 HD12 ' O ' ' A' ' 11' ' ' MET . 2.8 mp -43.64 -49.58 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.5 -55.48 27.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mt -42.24 -43.25 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.252 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.882 ' HA ' HD23 ' A' ' 21' ' ' LEU . 7.0 t -62.92 -61.94 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -47.96 -27.29 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -73.09 -47.82 41.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 1.156 . . . . 0.0 110.248 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.882 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -72.51 -36.24 68.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.0 OUTLIER -65.08 -31.66 72.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -61.1 -16.79 48.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.581 ' CE1' ' CG ' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.75 34.83 5.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.553 HG23 HD12 ' A' ' 28' ' ' LEU . 1.5 p -50.27 -34.16 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -57.69 -17.93 17.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.533 1.145 . . . . 0.0 109.325 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -109.83 36.72 2.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.982 HD22 HD21 ' A' ' 56' ' ' LEU . 35.4 mt -122.41 133.28 54.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 0.4 OUTLIER -94.9 130.67 32.25 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.421 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.02 109.72 2.98 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 110.996 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.405 ' OE1' ' N ' ' A' ' 32' ' ' PHE . 0.4 OUTLIER -134.43 162.26 32.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.405 ' N ' ' OE1' ' A' ' 31' ' ' GLU . 90.6 m-85 -65.6 93.38 0.16 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.126 . . . . 0.0 111.016 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.812 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -112.89 132.74 22.18 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HA ' ' HE2' ' A' ' 102' ' ' LYS . 18.4 Cg_endo -74.99 128.56 11.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -134.16 116.7 13.35 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.5 Cg_endo -74.97 126.34 9.93 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 38' ' ' ASP . 0.9 OUTLIER -99.08 113.53 25.78 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 37' ' ' GLU . 0.4 OUTLIER 55.02 105.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 109.267 179.962 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.766 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -111.6 151.39 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.314 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB3' ' SG ' ' A' ' 43' ' ' CYS . 29.9 tt0 -56.0 165.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -52.45 -45.7 66.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 28.3 m-20 -106.5 45.47 0.98 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.47 ' O ' ' N ' ' A' ' 45' ' ' TRP . 1.3 m -129.05 -40.71 1.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 108.287 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.713 ' HB3' HD11 ' A' ' 115' ' ' LEU . 5.2 mt-10 -36.22 -32.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.269 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.483 ' CH2' HG13 ' A' ' 120' ' ' ILE . 93.9 m95 -75.1 -58.27 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 108.038 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -53.54 -20.0 4.46 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.472 1.107 . . . . 0.0 110.028 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.766 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -87.03 -23.48 24.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' HE1' HD21 ' A' ' 116' ' ' LEU . 64.3 t80 -50.61 -24.92 3.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.968 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.29 -39.02 60.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 2.5 m -56.05 -38.95 71.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 108.299 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 55.7 m-85 -75.9 -30.64 58.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.07 -57.4 4.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.4 -21.64 37.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.332 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.812 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -57.17 -69.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.524 ' O ' HD21 ' A' ' 33' ' ' LEU . 9.1 tt0 69.38 122.31 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.982 HD21 HD22 ' A' ' 28' ' ' LEU . 1.1 tm? -88.71 149.92 23.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.829 ' H ' HD22 ' A' ' 56' ' ' LEU . 17.6 tptt -130.8 138.47 49.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.494 ' HB3' HG21 ' A' ' 68' ' ' ILE . 0.0 OUTLIER -75.33 153.59 37.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -67.41 -10.65 53.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.411 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 2.8 m120 75.48 53.15 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.3 p -113.87 -11.86 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.446 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 81.52 -163.0 44.07 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.568 1.168 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.85 -78.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.787 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.581 ' CG ' ' CE1' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -110.69 27.75 9.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -56.32 5.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 1.088 ' O ' HG13 ' A' ' 70' ' ' VAL . 7.1 mtp180 -60.57 -49.43 77.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 110.344 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.643 ' O ' HG22 ' A' ' 70' ' ' VAL . 6.4 tp -53.48 -14.4 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.494 HG21 ' HB3' ' A' ' 58' ' ' SER . 0.1 OUTLIER -94.81 -40.56 11.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.254 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.473 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 1.7 t-20 -72.7 -19.63 61.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.088 HG13 ' O ' ' A' ' 66' ' ' ARG . 5.6 m -70.68 -39.79 76.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.7 m -66.83 -18.97 65.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 0.0 110.04 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.493 HD11 ' O ' ' A' ' 56' ' ' LEU . 22.7 mm -58.97 -42.88 87.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -60.16 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 6.7 mmtt -61.56 -54.68 39.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.272 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 74' ' ' LYS . 13.3 tp -40.07 -52.84 2.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -74.14 62.54 0.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.4 mmm180 -91.4 163.68 14.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.35 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -101.46 144.65 28.98 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 173.68 14.08 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.431 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.06 -173.48 1.59 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.481 1.779 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -38.69 -44.81 1.04 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.618 ' O ' HG23 ' A' ' 82' ' ' THR . 10.2 t -80.69 70.92 7.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.441 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -79.1 -51.58 9.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . 51.39 94.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 86' ' ' ARG . . . -121.55 51.68 0.78 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CB ' ' O ' ' A' ' 85' ' ' GLY . 2.2 ttm180 82.9 115.79 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 0.753 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 76.7 mtt180 56.55 -177.75 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 69.83 -71.65 0.12 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.2 111.98 20.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.564 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 11.2 t-160 -115.15 46.42 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.597 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -95.11 4.7 53.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.277 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 177.84 161.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.277 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.0 m -132.14 110.53 10.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.365 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 3.7 m -115.89 149.51 43.37 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 108.317 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.45 14.34 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.466 1.772 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -50.01 156.17 0.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.472 1.107 . . . . 0.0 110.032 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -72.99 60.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.116 . . . . 0.0 108.32 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.51 -46.5 1.89 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -84.51 53.08 2.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 110.019 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.518 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 10.2 m-85 -148.86 -44.3 0.15 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 111.029 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.518 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 2.7 tt0 87.18 144.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' HE2' ' HA ' ' A' ' 34' ' ' PRO . 4.8 mmpt? -54.72 179.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.21 164.04 16.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 174.19 13.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 111.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.768 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.01 -19.88 17.39 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.75 -54.83 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -70.43 -42.88 70.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 110.313 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.694 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.9 t80 -50.04 -42.87 50.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.526 1.141 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.847 HD12 HG13 ' A' ' 18' ' ' VAL . 2.8 mm? -79.05 -38.1 37.3 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -61.22 -30.8 70.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 110.335 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.73 -44.13 13.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.565 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.5 OUTLIER -54.67 -61.49 2.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.852 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -51.04 -48.13 61.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 118' ' ' LYS . 43.3 t -59.53 -62.38 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 110.01 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.713 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -40.72 -39.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.852 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.9 mt -63.96 -65.57 0.66 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.562 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 1.4 pt20 -62.74 -6.75 3.91 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.48 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.8 OUTLIER -85.22 -68.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.474 ' HG3' ' CG ' ' A' ' 44' ' ' GLU . 0.0 OUTLIER -92.67 -64.22 1.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 111.023 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.483 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.1 mp -36.64 -59.93 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.12 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.562 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.1 OUTLIER -39.78 -51.84 2.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 0.0 109.608 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.438 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.8 mm100 -37.58 -33.26 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 110.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 121' ' ' HIS . 3.4 t-160 -47.38 -48.47 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.579 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.414 ' HG ' ' N ' ' A' ' 125' ' ' SER . 0.1 OUTLIER -39.9 -43.95 1.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.414 ' N ' ' HG ' ' A' ' 124' ' ' LEU . 0.2 OUTLIER -153.49 106.13 2.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 109.968 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.2 t -178.4 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.2 ttp85 -179.54 68.66 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -61.43 138.3 58.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -89.55 -63.47 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.606 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 122.39 -123.47 5.41 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.541 1.151 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.3 168.92 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.45 0.735 . . . . 0.0 110.003 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.89 37.65 0.15 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.298 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -60.65 -58.23 9.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.336 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 109.979 -180.0 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.472 0.177 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.47 133.32 20.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.52 -62.94 0.1 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 51.69 78.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 0.792 . . . . 0.0 110.308 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.419 ' C ' ' N ' ' A' ' 7' ' ' HIS . 4.1 m-20 -108.22 130.31 55.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.19 -27.18 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 110.315 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' N ' ' C ' ' A' ' 5' ' ' ASP . 49.0 m80 -87.9 -54.58 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.59 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.39 -28.22 58.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.127 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.8 pp -88.37 -25.34 5.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.479 ' O ' HD23 ' A' ' 14' ' ' LEU . 12.4 tpp180 -53.15 -37.57 61.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 110.309 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.771 ' O ' HD12 ' A' ' 15' ' ' ILE . 4.6 ptt? -93.31 -44.8 8.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.458 ' N ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -52.71 -43.53 65.71 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' A' ' 16' ' ' ASP . 26.7 mm-40 -66.81 -52.53 42.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 110.32 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.2 mm? -42.42 -51.07 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 113' ' ' LYS . 3.7 mp -69.92 -32.33 51.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.464 ' N ' ' O ' ' A' ' 13' ' ' GLN . 1.1 t70 -65.23 -64.45 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.486 HG21 ' CB ' ' A' ' 74' ' ' LYS . 1.2 pp -47.62 -54.4 3.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 14' ' ' LEU . 75.0 t -44.03 -62.55 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -57.85 -40.72 80.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -54.58 -43.49 72.13 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.839 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -76.58 -36.77 57.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.255 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 0.2 OUTLIER -63.1 -37.12 85.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -64.5 -13.04 50.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.657 ' CD1' ' ND2' ' A' ' 64' ' ' ASN . 3.5 m-85 -118.83 29.19 7.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG23 HD12 ' A' ' 28' ' ' LEU . 4.2 p -47.01 -26.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -55.11 -20.53 10.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.246 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.468 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -115.54 42.16 2.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 109.301 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.094 HD22 HD21 ' A' ' 56' ' ' LEU . 13.8 mt -121.83 124.84 45.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -92.38 127.72 47.61 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 103.5 1.74 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.477 1.777 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -129.86 162.81 27.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.284 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -65.15 93.53 0.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.953 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -110.38 128.54 25.18 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.15 . . . . 0.0 109.328 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 130.74 13.59 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.51 109.64 10.32 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.0 Cg_endo -75.05 148.61 35.33 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.5 1.789 . . . . 0.0 111.007 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.573 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -143.81 137.65 28.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.573 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 6.3 t70 87.48 5.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.328 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.777 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.1 OUTLIER -39.31 130.13 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.29 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.503 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 19.2 tt0 -54.5 157.86 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 110.331 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -43.72 -43.54 6.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.535 1.147 . . . . 0.0 110.412 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.531 ' HB2' HD13 ' A' ' 92' ' ' LEU . 64.7 m-80 -102.23 38.89 1.58 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.69 ' SG ' HG12 ' A' ' 39' ' ' VAL . 34.6 t -121.01 -38.39 2.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -37.95 -30.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.531 ' CH2' HG13 ' A' ' 120' ' ' ILE . 89.9 m95 -77.77 -57.96 3.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.8 OUTLIER -54.26 -19.25 4.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.957 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.777 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -81.74 -24.53 36.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' CE1' ' O ' ' A' ' 77' ' ' ARG . 0.3 OUTLIER -55.91 -54.92 38.84 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.5 p -55.63 -21.5 18.09 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.434 1.084 . . . . 0.0 110.004 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 21.4 m -79.17 -51.99 8.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 108.284 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.477 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 11.1 m-85 -59.17 -51.95 67.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -62.19 -13.42 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 1.083 . . . . 0.0 110.33 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.8 tttm -92.42 -33.12 14.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.953 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.97 -40.3 1.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 69.15 102.76 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.318 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.094 HD21 HD22 ' A' ' 28' ' ' LEU . 1.8 tm? -78.6 135.66 37.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.616 ' H ' HD22 ' A' ' 56' ' ' LEU . 1.8 tptt -130.56 136.04 48.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.542 1.152 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 2.6 p -90.1 160.62 16.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.021 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.48 -14.35 28.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.257 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 58' ' ' SER . 12.0 m-20 72.66 -65.54 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.331 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 3.2 t -69.61 61.22 0.15 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 110.379 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -138.57 -127.9 2.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.537 1.148 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -141.88 -46.66 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 0.763 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.657 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 5.4 m-80 -84.97 47.01 1.33 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.282 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.412 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 2.8 tm-20 -85.96 -63.88 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.291 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -57.28 -27.3 61.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.856 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -74.94 -49.84 27.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.556 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.0 OUTLIER -46.51 -38.83 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.509 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 11.2 t-20 -51.44 -22.44 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.856 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -74.99 -33.37 29.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 0.4 OUTLIER -75.71 -11.43 60.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.001 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.509 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 10.9 mm -75.13 -60.86 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.477 1.11 . . . . 0.0 109.308 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -40.25 -65.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.27 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.486 ' CB ' HG21 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -52.91 -60.88 2.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.4 OUTLIER -39.07 -37.49 0.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 13.4 mttt -81.9 54.22 2.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.434 ' O ' ' CE1' ' A' ' 48' ' ' PHE . 0.0 OUTLIER -95.73 127.4 41.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.66 155.58 53.41 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 154.69 42.76 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.48 1.779 . . . . 0.0 111.024 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 81' ' ' SER . 18.4 Cg_endo -74.99 116.67 4.66 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.771 . . . . 0.0 111.038 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 80' ' ' PRO . 0.4 OUTLIER 38.64 63.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.433 HG22 ' O ' ' A' ' 82' ' ' THR . 55.2 m 39.06 54.56 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 110.394 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.406 ' HB3' ' CG ' ' A' ' 45' ' ' TRP . 2.3 p30 41.76 83.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -166.29 135.53 3.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.84 -64.53 3.48 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.492 1.12 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.6 ttt180 -147.15 -55.47 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 0.781 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.1 ttp180 -75.15 169.33 18.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 110.328 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.461 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 5.1 tp60 -39.31 -66.47 0.29 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.461 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 3.9 tmtm? 86.05 -47.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 79.3 t60 67.69 120.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.646 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.555 ' C ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -86.07 38.74 0.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.285 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 92' ' ' LEU . 0.1 OUTLIER 40.69 -136.21 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.272 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 18.0 p -110.48 -72.93 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.402 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 63.65 137.77 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 108.243 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 136.03 19.83 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.479 1.779 . . . . 0.0 110.988 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 59.9 p -62.05 140.88 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.153 . . . . 0.0 110.044 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.573 ' HA ' ' CD1' ' A' ' 100' ' ' TYR . 1.6 m -77.58 60.82 2.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 108.316 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -132.72 -49.56 0.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.117 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.02 49.06 1.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.999 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.573 ' CD1' ' HA ' ' A' ' 97' ' ' CYS . 15.5 m-85 -114.2 -86.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 111.044 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 175.75 165.68 0.36 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.28 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -96.87 148.23 23.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 20.9 mmtt -141.94 163.38 40.69 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 174.88 12.03 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.482 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -74.95 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.477 1.777 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.29 -45.47 45.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -76.32 -55.2 5.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 110.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.661 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 8.3 t80 -42.64 -35.62 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.128 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.839 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.8 mm? -81.57 -48.27 12.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -49.1 -30.98 7.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 110.274 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.21 -48.76 7.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.537 ' CD1' HD11 ' A' ' 116' ' ' LEU . 0.4 OUTLIER -42.1 -59.95 1.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.992 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -49.99 -49.94 48.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.275 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -58.93 -62.62 1.74 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.564 1.165 . . . . 0.0 110.016 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.635 HD13 ' C ' ' A' ' 115' ' ' LEU . 2.8 tm? -36.9 -46.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.699 HD13 ' HB3' ' A' ' 14' ' ' LEU . 4.5 mt -60.14 -67.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.609 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -57.72 -8.46 0.92 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.0 OUTLIER -78.7 -63.06 1.5 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.513 1.133 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.454 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 3.3 tpt -98.29 -60.68 1.5 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.531 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.7 mp -38.28 -67.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.9 OUTLIER -35.99 -55.76 0.74 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.565 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.454 ' HG2' ' O ' ' A' ' 119' ' ' MET . 3.5 mm100 -34.85 -40.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 120' ' ' ILE . 11.4 t60 -38.95 -41.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.6 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.44 -57.55 2.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.122 . . . . 0.0 109.331 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.24 96.04 9.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 110.0 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.07 90.23 3.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 110.035 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.21 150.47 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.611 ' O ' HG22 ' A' ' 128' ' ' THR . 8.6 m 62.91 53.65 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.363 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.95 152.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.64 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 79.12 129.88 0.66 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.522 1.139 . . . . 0.0 111.029 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 5.6 m 62.88 108.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 0.75 . . . . 0.0 110.02 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 61.43 125.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.303 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.21 -61.77 1.32 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.458 1.099 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 109.969 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.513 0.197 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -132.87 87.37 2.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.303 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -67.66 73.68 0.24 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.456 1.097 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.11 139.99 44.66 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 0.0 110.309 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.509 ' HB2' HD11 ' A' ' 124' ' ' LEU . 0.1 OUTLIER 62.93 152.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.885 ' O ' HG22 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -86.67 -25.46 24.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.14 -30.69 11.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.598 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 9' ' ' ILE . 3.6 ptt? -42.16 -32.75 0.51 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.885 HG22 ' O ' ' A' ' 6' ' ' ARG . 7.6 tt -46.82 -56.24 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 109.283 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.751 ' O ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -42.64 -33.74 0.77 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.47 ' O ' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -87.61 -69.52 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 111.018 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -37.81 -40.87 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.486 1.116 . . . . 0.0 110.281 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -59.5 -49.11 79.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.289 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.931 ' O ' HG23 ' A' ' 18' ' ' VAL . 6.2 mp -56.61 -51.96 66.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.653 HD11 ' CD1' ' A' ' 116' ' ' LEU . 2.8 mp -62.86 -22.97 31.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.5 -64.78 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 14' ' ' LEU . 0.6 OUTLIER -54.87 -30.92 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.997 HG11 ' CB ' ' A' ' 113' ' ' LYS . 46.5 t -63.07 -68.52 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.27 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.71 -36.65 69.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -61.67 -35.47 78.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.317 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -80.96 -41.13 23.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.284 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.593 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.9 mtmm -56.2 -38.96 71.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.68 -3.03 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.328 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 68' ' ' ILE . 3.3 m-85 -128.46 23.81 5.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.153 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.759 HG12 HD12 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -45.21 -25.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.339 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 24' ' ' TYR . 31.7 t-20 -54.42 -19.49 5.73 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 29.8 t70 -112.12 37.52 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.04 HD21 HD21 ' A' ' 21' ' ' LEU . 14.5 mt -122.4 137.81 54.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG23 ' HA ' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -106.91 132.68 20.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 104.65 1.94 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.467 1.772 . . . . 0.0 111.014 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -132.74 161.89 32.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 110.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -66.24 93.73 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 111.011 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.896 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -108.88 131.91 21.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 129.2 12.13 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.497 1.788 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.36 109.77 8.88 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.805 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 118.66 5.35 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.508 1.794 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -97.78 126.39 43.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.9 100.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.289 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.727 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -112.69 137.13 46.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 14.9 tt0 -56.53 154.51 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' GLU . 1.9 m -36.14 -35.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.376 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.421 ' N ' ' O ' ' A' ' 40' ' ' GLU . 9.6 m120 -122.27 56.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.727 ' SG ' HG12 ' A' ' 39' ' ' VAL . 3.5 t -132.6 -45.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 108.309 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.853 ' HB2' HD11 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -34.6 -39.12 0.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.561 ' CH2' HG13 ' A' ' 120' ' ' ILE . 80.7 m95 -63.29 -60.43 3.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.119 . . . . 0.0 108.009 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.46 ' N ' ' O ' ' A' ' 43' ' ' CYS . 5.2 t -56.06 -18.08 8.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.577 1.173 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -88.45 -34.3 17.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.481 ' CE2' ' O ' ' A' ' 77' ' ' ARG . 11.9 t80 -44.7 -42.13 7.35 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.983 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.4 p -61.48 -37.22 82.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.019 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -56.84 -44.63 82.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 108.303 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.493 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 23.6 m-85 -69.0 -29.5 67.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 77' ' ' ARG . 2.6 mp0 -73.63 -63.04 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.55 1.156 . . . . 0.0 110.29 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.2 -22.17 6.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.817 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -48.13 -52.21 21.52 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.551 1.157 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 64.72 112.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 110.262 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -76.87 140.13 40.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.413 ' HB3' HG12 ' A' ' 29' ' ' VAL . 1.3 tptt -130.37 121.92 26.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.694 ' OG ' HG21 ' A' ' 68' ' ' ILE . 26.8 m -72.06 158.7 35.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.054 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.512 ' HA ' HG23 ' A' ' 29' ' ' VAL . . . -58.89 -19.42 42.09 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 73.64 49.06 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 t -131.02 21.81 4.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.384 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 64' ' ' ASN . . . 63.59 -143.34 47.93 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 67.84 -72.76 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 0.0 109.305 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.865 ' O ' HD13 ' A' ' 68' ' ' ILE . 4.2 m-80 -131.47 40.88 3.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.59 -55.15 4.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 0.7 OUTLIER -65.32 -19.95 66.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.917 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -83.55 -48.58 17.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 1.034 HG13 HD23 ' A' ' 21' ' ' LEU . 1.2 mp -51.68 -31.19 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.491 ' HA ' HD12 ' A' ' 72' ' ' ILE . 29.4 t30 -64.3 -14.76 57.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.917 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -76.74 -26.08 16.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.506 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 51.7 m -88.16 -32.79 18.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.046 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 69' ' ' ASN . 96.5 mt -59.46 -35.52 59.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.91 -70.04 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 -49.36 77.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.299 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.754 HD12 ' CE2' ' A' ' 112' ' ' PHE . 15.7 tp -39.56 -42.52 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 109.319 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -75.85 57.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.265 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.918 ' HG3' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -93.24 123.8 36.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -86.73 155.3 56.13 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 173.39 14.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.2 Cg_endo -75.0 -162.53 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.521 1.8 . . . . 0.0 110.983 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 43.6 m -40.69 -60.91 1.03 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.586 ' O ' HG23 ' A' ' 82' ' ' THR . 6.6 t -68.1 81.82 0.22 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.421 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -80.15 -51.11 9.37 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -173.05 -69.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 150.43 -122.38 1.38 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.536 1.147 . . . . 0.0 111.034 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 178.65 86.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 0.774 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.78 -60.29 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -47.81 -55.98 8.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.66 93.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.459 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 2.5 t-160 -133.93 -172.29 2.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 109.591 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.459 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 0.0 OUTLIER 67.39 8.24 6.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 110.295 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 179.47 132.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.0 p -89.67 55.97 3.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.372 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -105.47 136.83 19.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.317 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -167.89 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.42 175.34 6.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.995 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 68.52 10.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.322 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -127.94 -54.64 1.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 41.6 t -44.79 -44.19 9.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.147 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.602 ' CG ' ' HA ' ' A' ' 36' ' ' PRO . 18.5 m-85 -61.69 -177.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -144.07 178.47 7.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 110.325 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.1 OUTLIER -67.03 -178.73 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 5.9 mttm -176.24 167.77 1.5 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 174.13 13.31 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.534 1.808 . . . . 0.0 111.029 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.811 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.2 Cg_endo -74.99 -58.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.506 1.792 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -38.49 -42.66 0.77 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -76.85 -60.49 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.309 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.896 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -39.46 -32.0 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.756 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.8 mm? -84.84 -51.57 6.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -58.54 -24.43 60.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 110.278 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -50.82 6.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.754 ' CE2' HD12 ' A' ' 75' ' ' LEU . 22.2 t80 -54.37 -57.55 10.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.997 ' CB ' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -53.36 -49.77 66.45 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 118' ' ' LYS . 37.6 t -53.26 -52.49 58.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.853 HD11 ' HB2' ' A' ' 44' ' ' GLU . 2.1 tm? -63.45 -42.1 98.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.804 HD13 ' C ' ' A' ' 116' ' ' LEU . 0.1 OUTLIER -65.42 -29.89 70.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' N ' ' O ' ' A' ' 113' ' ' LYS . 0.0 OUTLIER -97.0 -4.66 39.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.3 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.5 OUTLIER -89.25 -70.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.49 ' O ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -81.78 -70.16 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.707 HG21 ' CD2' ' A' ' 116' ' ' LEU . 1.2 mp -37.42 -32.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.125 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 119' ' ' MET . 8.2 t-160 -68.94 -70.67 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.49 ' HG2' ' O ' ' A' ' 119' ' ' MET . 10.3 pt20 -45.84 -35.29 4.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.576 1.172 . . . . 0.0 110.266 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 122' ' ' GLN . 30.2 t60 -39.34 -49.9 2.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.59 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 5' ' ' ASP . 3.3 tm? -56.14 -57.14 13.46 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.25 -60.98 2.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.03 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 23.1 t 67.55 76.36 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 28.9 ttt85 -172.37 131.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 51.6 m 57.82 159.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.403 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 56.8 p-80 -143.17 63.98 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.602 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 57.89 114.99 0.01 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -156.21 92.86 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -81.57 159.45 24.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.303 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.55 107.93 15.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.996 179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 CA-C-O 120.509 0.195 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -42.54 -49.03 5.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 158.2 -53.97 0.38 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.461 1.1 . . . . 0.0 111.013 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -49.99 143.67 7.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 110.274 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -114.96 138.39 50.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.323 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -50.32 -22.05 1.65 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.414 ' O ' ' N ' ' A' ' 10' ' ' ARG . 11.2 m-70 -89.12 -65.83 0.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.623 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.495 ' HA ' ' CE ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -41.63 -27.32 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.994 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.632 HD12 ' N ' ' A' ' 10' ' ' ARG . 2.4 pp -87.28 -45.97 16.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.632 ' N ' HD12 ' A' ' 9' ' ' ILE . 9.1 ttp180 -45.9 -47.1 16.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.155 . . . . 0.0 110.297 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.676 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -64.52 -71.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.955 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.412 ' H ' ' CG ' ' A' ' 11' ' ' MET . 0.0 OUTLIER -46.65 -33.35 4.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 110.377 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.42 ' N ' ' O ' ' A' ' 9' ' ' ILE . 36.0 mm-40 -67.4 -45.18 76.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 110.276 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.811 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.8 OUTLIER -58.83 -44.18 90.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.676 HD12 ' O ' ' A' ' 11' ' ' MET . 4.4 mp -70.6 -27.4 30.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.68 -64.04 0.96 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -50.29 -45.83 24.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 14' ' ' LEU . 45.1 t -52.32 -66.61 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.149 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -54.74 -49.32 71.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.302 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -50.42 -49.61 54.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.247 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.877 HD21 HD21 ' A' ' 28' ' ' LEU . 0.4 OUTLIER -66.14 -44.79 83.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 109.302 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.885 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.3 mtmt -54.22 -49.06 70.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.9 m-20 -52.23 -24.03 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.951 ' CE2' HG21 ' A' ' 67' ' ' ILE . 1.8 m-85 -107.42 35.38 3.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 22' ' ' LYS . 2.7 t -52.88 -30.56 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -54.69 -18.45 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 58' ' ' SER . 1.1 m-20 -115.96 44.09 2.0 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.897 ' CD2' HD21 ' A' ' 56' ' ' LEU . 24.2 mt -121.75 132.68 54.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -99.83 126.41 37.03 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 105.37 2.06 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.461 1.769 . . . . 0.0 110.985 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.521 ' HG3' HD13 ' A' ' 33' ' ' LEU . 2.6 pt-20 -136.14 162.55 32.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 110.307 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -65.36 93.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.891 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -107.84 128.65 25.41 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 128.6 11.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.424 1.749 . . . . 0.0 111.01 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -135.76 115.05 11.25 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.676 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.3 Cg_endo -75.0 114.0 3.92 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.471 1.774 . . . . 0.0 110.978 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.89 126.77 43.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.325 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.2 m-20 59.77 94.21 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.832 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -114.01 144.62 21.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 6.6 tt0 -55.47 153.94 6.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -40.77 -44.74 2.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.387 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.94 ' HB2' HD11 ' A' ' 92' ' ' LEU . 30.5 m-20 -107.34 51.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.832 ' SG ' HG12 ' A' ' 39' ' ' VAL . 48.8 t -131.87 -42.94 1.0 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 108.359 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.588 ' CB ' HD21 ' A' ' 115' ' ' LEU . 2.5 mt-10 -35.45 -33.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 90.7 m95 -71.89 -59.46 2.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 107.936 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 43' ' ' CYS . 18.4 m -53.76 -23.45 11.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.679 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -83.2 -22.6 33.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.491 1.12 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.437 ' CB ' ' O ' ' A' ' 45' ' ' TRP . 28.1 t80 -52.04 -35.12 46.16 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 53' ' ' LYS . 0.4 OUTLIER -63.67 -54.0 42.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.014 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -53.2 -22.82 7.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 108.3 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.581 ' CE2' ' HD2' ' A' ' 36' ' ' PRO . 2.4 m-85 -87.05 -51.2 6.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.979 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -69.48 -10.45 58.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 0.0 110.275 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.401 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.4 tttt -97.78 -29.55 13.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.891 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.62 -39.24 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 61.86 106.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.897 HD21 ' CD2' ' A' ' 28' ' ' LEU . 2.1 tm? -78.45 135.14 37.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.538 ' N ' HD13 ' A' ' 56' ' ' LEU . 15.6 tptt -131.79 131.73 43.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.503 ' CB ' HG21 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -89.36 154.95 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -59.97 -16.02 26.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 55.41 63.59 2.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.262 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.6 t -149.46 24.82 0.89 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -155.64 179.15 31.82 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -77.11 -34.12 56.83 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 0.777 . . . . 0.0 109.341 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.654 ' ND2' ' CD1' ' A' ' 24' ' ' TYR . 9.1 m-20 -53.77 -20.68 5.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.321 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.26 -27.24 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.675 ' O ' HG13 ' A' ' 70' ' ' VAL . 18.5 tpp180 -86.13 -43.52 12.98 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.951 HG21 ' CE2' ' A' ' 24' ' ' TYR . 4.2 tp -66.71 -9.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.815 HG13 HD23 ' A' ' 21' ' ' LEU . 0.3 OUTLIER -92.17 -45.82 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 109.308 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.481 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 27.7 t-20 -53.84 -23.12 11.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.761 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -72.79 -36.72 53.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.31 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.468 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 80.7 p -68.98 -11.24 60.55 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.968 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.481 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 11.4 mm -72.57 -64.54 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.28 -49.18 5.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 75' ' ' LEU . 7.5 mmtm -66.28 -66.5 0.54 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.56 1.162 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.468 ' CB ' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -40.02 -41.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.276 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.36 54.25 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -83.75 166.87 17.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 110.28 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -105.95 142.11 24.13 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 18.3 Cg_endo -74.98 175.09 11.69 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.473 1.775 . . . . 0.0 111.011 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.553 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.01 -85.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' THR . 26.1 m -83.87 57.34 4.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' SER . 17.2 m 34.7 76.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 110.387 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 16.6 t30 68.19 -66.99 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 82' ' ' THR . . . -132.69 -48.51 0.89 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.243 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 137.81 90.34 0.24 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.02 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.91 -174.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 0.768 . . . . 0.0 110.296 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.96 154.94 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.337 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 59.25 103.15 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 90' ' ' HIS . 0.0 OUTLIER -40.72 -36.58 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' O ' ' N ' ' A' ' 92' ' ' LEU . 2.8 t-160 69.44 -60.65 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.565 1.166 . . . . 0.0 109.589 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.959 ' O ' HD12 ' A' ' 92' ' ' LEU . 83.3 mtt-85 -60.84 80.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.959 HD12 ' O ' ' A' ' 91' ' ' ARG . 0.3 OUTLIER 43.57 -169.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.286 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 35.9 p -87.64 -176.48 5.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 110.376 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 176.75 144.87 0.26 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.129 . . . . 0.0 108.308 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 127.79 11.02 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.437 1.756 . . . . 0.0 111.037 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -83.34 -172.78 4.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.115 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . 0.524 ' HA ' ' CZ ' ' A' ' 100' ' ' TYR . 3.4 m -88.85 97.02 10.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 108.262 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.7 t70 178.27 -41.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.16 . . . . 0.0 109.297 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 13.2 t -57.01 -26.34 60.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.589 ' CZ ' ' HA ' ' A' ' 36' ' ' PRO . 12.5 p90 -123.92 148.59 46.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 110.99 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.29 -163.2 0.18 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 110.259 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.5 mmpt? -84.01 -161.11 0.5 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -173.94 167.57 2.38 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.334 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 173.99 13.55 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.411 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -75.01 -46.53 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.511 1.795 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.99 -42.29 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -76.38 -49.44 16.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.765 ' CZ ' ' HB3' ' A' ' 54' ' ' ALA . 6.3 t80 -50.16 -35.07 24.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.855 ' HG ' HD12 ' A' ' 21' ' ' LEU . 3.2 mm? -82.75 -42.53 17.87 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 109.299 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -56.52 -23.87 42.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.303 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.58 -46.8 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.252 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 51' ' ' PHE . 0.6 OUTLIER -48.03 -58.73 4.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.754 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -49.39 -43.63 44.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 118' ' ' LYS . 5.4 p -63.29 -56.0 20.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.975 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.588 HD21 ' CB ' ' A' ' 44' ' ' GLU . 2.9 tm? -43.68 -50.75 7.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.345 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD13 ' HB3' ' A' ' 14' ' ' LEU . 1.9 mt -56.95 -56.2 24.75 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.488 ' HA ' ' CB ' ' A' ' 121' ' ' HIS . 3.7 mm-40 -65.26 -6.82 10.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.325 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -81.97 -70.14 0.57 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.457 ' O ' ' C ' ' A' ' 120' ' ' ILE . 2.6 tpt -97.35 -62.71 1.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.015 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.541 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.5 mp -35.31 -66.08 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.488 ' CB ' ' HA ' ' A' ' 117' ' ' GLN . 2.7 t-80 -37.78 -52.94 1.29 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' OE1' ' ND1' ' A' ' 121' ' ' HIS . 4.6 mm100 -35.21 -35.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.456 ' N ' ' O ' ' A' ' 121' ' ' HIS . 11.1 t-80 -39.69 -45.66 1.73 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.622 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.9 tp -92.25 -46.75 7.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.103 . . . . 0.0 109.342 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.36 106.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 30.3 t -161.03 -65.28 0.06 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.518 1.136 . . . . 0.0 109.975 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.84 124.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.596 ' O ' HG22 ' A' ' 128' ' ' THR . 4.5 m -162.07 61.05 0.24 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.427 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -81.72 175.1 10.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.598 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -116.18 -109.07 2.63 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.27 168.83 23.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -111.33 118.12 34.99 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 60.2 m-20 -54.06 -50.77 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.465 0.174 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.65 107.57 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 43.73 -140.8 3.03 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.963 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.82 81.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 110.301 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 69.38 94.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 109.336 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.429 ' HA ' HD12 ' A' ' 9' ' ' ILE . 2.1 ttt85 -52.06 -44.87 64.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -53.83 -54.74 34.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttm -40.82 -53.72 2.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 111.021 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 6' ' ' ARG . 3.1 mt -43.58 -53.7 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.3 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.33 -60.52 1.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 110.31 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.728 ' O ' HD12 ' A' ' 15' ' ' ILE . 2.2 mtm -47.52 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.87 -49.46 29.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 mt-30 -47.22 -48.43 24.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.659 ' O ' HG23 ' A' ' 18' ' ' VAL . 23.7 mt -60.1 -58.96 6.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 11' ' ' MET . 3.5 mp -51.03 -44.6 28.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.564 1.165 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.82 -55.83 25.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.46 HG23 ' HB3' ' A' ' 71' ' ' SER . 0.1 OUTLIER -46.94 -43.0 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 87.8 t -57.8 -67.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -36.71 5.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 109.296 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -57.29 -50.6 72.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.826 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -70.24 -35.73 74.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.294 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.667 ' O ' HG13 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -66.22 -33.22 75.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -71.44 -3.27 20.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 68' ' ' ILE . 5.9 m-85 -120.73 14.07 11.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.964 HG12 HD12 ' A' ' 28' ' ' LEU . 3.8 m -40.76 -30.37 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' N ' ' C ' ' A' ' 24' ' ' TYR . 15.7 t-20 -46.6 -25.22 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' N ' ' C ' ' A' ' 25' ' ' VAL . 5.5 m-20 -121.33 53.18 1.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.104 HD22 HD21 ' A' ' 56' ' ' LEU . 8.8 mt -121.63 135.09 55.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.404 ' O ' ' CG1' ' A' ' 29' ' ' VAL . 0.5 OUTLIER -96.28 122.18 58.47 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.439 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.4 Cg_endo -75.01 104.92 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -128.93 161.67 29.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.117 . . . . 0.0 110.319 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -66.21 94.69 0.26 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.828 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -109.4 134.69 20.43 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.267 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 78.8 2.8 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 111.012 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.612 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -87.06 115.71 63.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 109.271 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HG2' ' CE1' ' A' ' 51' ' ' PHE . 18.2 Cg_endo -75.1 129.86 12.64 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.461 1.769 . . . . 0.0 110.962 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -103.06 111.49 23.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.536 1.147 . . . . 0.0 110.291 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.1 102.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.805 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -109.45 145.02 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 20.1 tt0 -55.68 164.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.87 -37.52 63.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.377 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.87 ' CG ' HD13 ' A' ' 92' ' ' LEU . 26.1 m-20 -108.64 35.68 3.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.486 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -120.6 -40.23 2.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.527 1.142 . . . . 0.0 108.302 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' O ' HD11 ' A' ' 115' ' ' LEU . 1.1 mt-10 -35.96 -32.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 119' ' ' MET . 93.9 m95 -77.19 -62.07 1.77 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 107.986 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -50.57 -23.79 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.805 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -86.38 -32.63 20.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' N ' ' O ' ' A' ' 45' ' ' TRP . 0.7 OUTLIER -41.95 -48.43 4.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 t -53.9 -37.48 63.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' ALA . 56.7 m -52.5 -34.44 49.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.567 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 79.4 m-85 -83.79 -22.17 31.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 111.031 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -79.88 -21.42 44.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 110.307 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -99.73 -35.09 9.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.254 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.828 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.84 -58.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 65.84 92.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.261 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.104 HD21 HD22 ' A' ' 28' ' ' LEU . 1.4 tm? -72.6 141.68 48.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.293 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.784 ' H ' HD22 ' A' ' 56' ' ' LEU . 22.9 tptt -136.68 150.01 48.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.504 ' OG ' HG21 ' A' ' 68' ' ' ILE . 1.7 p -97.87 159.39 14.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.02 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -55.98 -18.55 9.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' ND2' ' O ' ' A' ' 58' ' ' SER . 2.0 m120 59.45 45.67 13.32 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.142 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 11.3 t -139.44 22.56 2.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.393 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -147.35 176.43 26.21 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.513 1.133 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -78.41 -31.63 48.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 109.28 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 67' ' ' ILE . 4.8 m-20 -58.47 -17.13 18.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -40.59 -33.88 0.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.338 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 1.034 ' O ' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -82.02 -52.52 6.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.519 HG21 ' CE2' ' A' ' 24' ' ' TYR . 3.9 tp -57.1 -12.21 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.294 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.537 HD11 ' HB3' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -88.15 -50.32 13.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 -179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.688 ' HA ' HD12 ' A' ' 72' ' ' ILE . 8.8 t30 -65.43 -44.95 85.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.034 HG13 ' O ' ' A' ' 66' ' ' ARG . 10.7 m -38.86 -44.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.285 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 74' ' ' LYS . 55.3 m -72.58 -45.66 58.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 69' ' ' ASN . 76.5 mt -39.84 -59.61 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 72' ' ' ILE . 12.8 mttt -37.84 -40.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.4 tptt -85.95 -60.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 71' ' ' SER . 6.5 tp -39.18 -31.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.435 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.63 52.28 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.27 132.04 43.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.132 . . . . 0.0 110.324 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.415 ' HB3' ' NE2' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -78.34 152.37 78.69 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.137 . . . . 0.0 109.286 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.442 ' O ' ' HA ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 113.13 3.72 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.46 1.768 . . . . 0.0 110.981 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.5 Cg_endo -74.95 169.69 22.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.472 1.775 . . . . 0.0 111.009 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.414 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER 56.93 -86.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.01 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 84' ' ' ALA . 56.0 m -55.33 -68.2 0.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 110.373 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.442 ' HA ' ' O ' ' A' ' 79' ' ' PRO . 8.0 m120 67.89 -68.64 0.16 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 82' ' ' THR . . . 59.31 -171.05 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 76.37 -59.59 3.24 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -46.95 14.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 0.746 . . . . 0.0 110.276 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.12 -62.38 0.84 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.287 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.472 ' O ' ' CB ' ' A' ' 89' ' ' LYS . 0.5 OUTLIER -179.82 -60.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.326 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.472 ' CB ' ' O ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 85.27 29.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 90' ' ' HIS . 14.8 t-160 53.3 36.89 23.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.652 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER -37.58 106.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.282 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.87 HD13 ' CG ' ' A' ' 42' ' ' ASN . 3.4 mp -61.16 81.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.471 ' N ' ' O ' ' A' ' 91' ' ' ARG . 3.1 m 50.49 98.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.421 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.458 ' SG ' ' HB3' ' A' ' 40' ' ' GLU . 1.4 m -174.98 138.9 0.6 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.55 1.156 . . . . 0.0 108.294 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 94' ' ' CYS . 18.2 Cg_endo -75.01 165.02 32.19 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 12.8 m -67.55 169.69 8.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 14.0 t -101.84 108.65 20.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 170.43 -39.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.423 1.077 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.81 105.66 15.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.55 1.156 . . . . 0.0 110.026 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -155.71 -82.89 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.87 158.71 0.78 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.266 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -98.82 158.9 15.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.612 ' HB2' ' HB3' ' A' ' 35' ' ' ALA . 2.3 mttp -163.46 168.94 9.22 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.115 . . . . 0.0 109.319 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.806 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.587 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.03 -39.14 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.42 -54.79 15.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.6 OUTLIER -69.12 -57.2 5.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 110.337 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.803 ' CD2' HD23 ' A' ' 33' ' ' LEU . 11.2 t80 -39.98 -34.65 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.811 ' HG ' HD11 ' A' ' 21' ' ' LEU . 1.4 mm? -81.21 -46.28 15.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 107' ' ' GLU . 1.8 tt0 -57.9 -23.16 52.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 110.332 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -90.51 -48.0 7.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.567 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -50.09 -59.31 4.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.798 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -45.77 -47.62 15.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.574 ' O ' ' N ' ' A' ' 118' ' ' LYS . 11.4 t -59.52 -59.19 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 110.026 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 115' ' ' LEU . 4.7 tt -39.44 -39.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.798 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.3 mt -65.76 -60.56 2.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.418 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -69.9 -3.72 17.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.349 179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' N ' ' O ' ' A' ' 114' ' ' SER . 64.6 tttt -85.06 -71.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.248 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 45' ' ' TRP . 0.0 OUTLIER -93.87 -64.03 1.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.969 -179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.99 -39.25 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.418 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 1.3 t-80 -66.64 -72.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.576 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.48 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 11.0 pt20 -48.48 -36.63 15.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 0.0 110.269 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.421 ' CD2' ' C ' ' A' ' 123' ' ' HIS . 0.7 OUTLIER -39.35 -42.91 1.11 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.155 . . . . 0.0 109.572 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -51.7 3.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.98 110.53 7.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -48.13 156.21 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.035 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.19 111.66 24.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.34 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 23.3 m -85.1 -61.48 1.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -164.15 162.52 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.574 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 157.0 140.91 3.05 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.122 . . . . 0.0 110.992 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 91.8 p -167.11 140.48 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 110.035 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 66.43 121.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -118.23 107.01 13.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.007 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.512 0.196 . . . . 0.0 111.006 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.43 109.59 0.29 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.32 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -70.89 70.53 0.74 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -176.59 -44.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.77 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.412 ' C ' ' N ' ' A' ' 7' ' ' HIS . 6.6 m-20 -45.62 166.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 ptt85 -38.84 -31.62 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.505 ' NE2' ' NH2' ' A' ' 127' ' ' ARG . 0.1 OUTLIER -48.08 -51.9 22.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.585 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.564 ' HG3' HD21 ' A' ' 124' ' ' LEU . 11.5 ttt -64.96 -61.37 2.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 8' ' ' MET . 2.9 mp -40.15 -35.85 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -40.17 -56.38 1.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.789 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -95.29 -28.28 15.07 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.7 ttt-85 -58.42 -47.31 84.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 1.105 . . . . 0.0 110.323 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -61.97 -35.05 77.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.318 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.801 ' O ' HG23 ' A' ' 18' ' ' VAL . 14.1 mt -62.11 -68.88 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.789 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -43.65 -43.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -65.38 -57.76 7.56 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.801 HD13 ' HB2' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -42.75 -45.96 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 14' ' ' LEU . 6.6 t -59.21 -56.44 17.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -52.74 -34.88 54.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.9 tp60 -60.95 -51.46 69.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.897 HD21 HD21 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.65 -43.67 83.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.135 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.896 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.2 mtmp? -49.85 -59.8 3.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -46.9 -25.11 0.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.318 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.485 ' CE2' HG21 ' A' ' 67' ' ' ILE . 3.4 m-85 -104.6 38.31 1.92 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.952 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.931 HG22 HD12 ' A' ' 28' ' ' LEU . 2.9 t -61.23 -28.3 43.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -52.23 -20.37 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.265 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.447 ' O ' ' CB ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -115.24 46.6 1.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.931 HD12 HG22 ' A' ' 25' ' ' VAL . 19.5 mt -120.99 130.05 53.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -99.16 126.54 37.65 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 109.9 3.02 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.479 1.778 . . . . 0.0 110.955 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -140.46 164.11 31.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.162 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.49 ' CB ' ' HG2' ' A' ' 102' ' ' LYS . 1.4 m-85 -63.44 93.13 0.07 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.955 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.7 OUTLIER -112.24 128.59 25.3 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.473 ' CA ' ' HE2' ' A' ' 102' ' ' LYS . 18.3 Cg_endo -74.95 108.28 2.68 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -123.68 109.31 30.47 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.851 ' HG2' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.98 116.89 4.73 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.551 1.816 . . . . 0.0 110.99 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.4 tm-20 -100.78 112.78 25.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.303 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 3.8 t0 84.01 92.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.018 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.1 OUTLIER -113.13 137.72 45.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 109.245 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' HB2' ' A' ' 43' ' ' CYS . 16.0 tt0 -55.9 153.62 8.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 110.269 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -39.35 -30.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.377 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' N ' ' C ' ' A' ' 40' ' ' GLU . 4.9 m120 -123.12 51.27 1.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 1.018 ' SG ' HG12 ' A' ' 39' ' ' VAL . 12.2 t -130.68 -39.77 1.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 108.318 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.77 ' O ' HD11 ' A' ' 115' ' ' LEU . 2.5 mp0 -35.63 -34.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 110.292 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CE3' ' HD3' ' A' ' 80' ' ' PRO . 88.3 m95 -71.92 -57.48 4.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 107.993 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.55 ' CB ' ' HB3' ' A' ' 84' ' ' ALA . 16.4 m -55.11 -19.66 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.57 1.169 . . . . 0.0 110.03 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.851 ' HB1' ' HG2' ' A' ' 36' ' ' PRO . . . -92.74 -16.29 25.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.435 ' N ' ' O ' ' A' ' 45' ' ' TRP . 4.9 t80 -59.72 -46.87 87.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 110.949 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 52' ' ' GLN . 18.3 m -55.68 -45.03 77.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -42.97 -54.8 4.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 108.293 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.886 ' CE2' HD13 ' A' ' 115' ' ' LEU . 20.6 m-85 -52.1 -36.7 51.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER -57.32 -63.81 1.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 110.271 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.19 -15.98 17.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.801 ' HB3' ' O ' ' A' ' 51' ' ' PHE . . . -64.43 -65.93 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 66.01 108.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.843 HD21 HD22 ' A' ' 28' ' ' LEU . 3.3 tm? -72.91 136.44 45.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' N ' HD13 ' A' ' 56' ' ' LEU . 0.1 OUTLIER -129.42 123.14 30.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 27' ' ' ASP . 0.6 OUTLIER -80.73 155.29 26.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.012 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.85 -17.87 18.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 57.97 60.27 2.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 14.1 t -149.71 30.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.381 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 65' ' ' GLU . . . -165.95 158.26 31.08 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.974 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.434 ' C ' ' N ' ' A' ' 65' ' ' GLU . 8.3 t-20 -55.35 -48.49 74.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 0.777 . . . . 0.0 109.335 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' O ' HG22 ' A' ' 67' ' ' ILE . 0.4 OUTLIER -41.77 -28.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.304 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 63' ' ' ASN . 12.5 tm-20 -42.09 -27.08 0.12 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.239 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.642 ' O ' HG13 ' A' ' 70' ' ' VAL . 1.1 tpm_? -83.47 -44.14 15.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.85 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.6 tp -65.99 -9.15 7.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.823 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.4 OUTLIER -88.3 -49.84 14.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.52 ' HA ' HD12 ' A' ' 72' ' ' ILE . 11.9 t30 -51.96 -30.65 25.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.85 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.2 m -65.36 -33.1 61.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.309 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' LEU . 17.8 m -77.36 -34.36 55.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.52 HD12 ' HA ' ' A' ' 69' ' ' ASN . 65.4 mt -53.66 -54.85 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.5 mttt -43.59 -70.24 0.11 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.801 ' HB2' HD13 ' A' ' 17' ' ' ILE . 7.0 mmtt -55.42 -59.39 4.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 71' ' ' SER . 0.5 OUTLIER -38.76 -37.32 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 109.311 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -77.96 55.14 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.545 1.153 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 163.98 25.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.349 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.38 150.7 42.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.81 13.86 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 111.004 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.581 ' HD3' ' CE3' ' A' ' 45' ' ' TRP . 18.1 Cg_endo -75.02 50.67 2.59 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.492 1.785 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 82' ' ' THR . 0.1 OUTLIER 68.07 -62.06 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.988 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' PRO . 1.2 t -34.04 -53.81 0.48 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.447 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.603 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 2.3 p-10 45.97 -172.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.603 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 168.76 163.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 109.19 65.72 0.56 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.536 1.147 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.9 -61.65 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 0.781 . . . . 0.0 110.328 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -112.89 -72.81 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -173.7 175.02 3.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.55 101.31 4.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.494 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 1.0 OUTLIER -46.45 -60.63 2.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.575 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.486 ' C ' ' O ' ' A' ' 90' ' ' HIS . 11.0 mtt180 -31.66 -65.81 0.13 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD13 ' CB ' ' A' ' 42' ' ' ASN . 1.2 mp -141.5 125.13 16.81 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 45.3 m -48.74 -69.99 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 110.416 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 65.11 138.91 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 108.281 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.84 38.72 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.538 1.809 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.96 -173.8 2.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 45.3 m -96.62 83.99 3.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 108.27 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -145.07 -54.73 0.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 42.4 t -58.94 -55.87 29.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.132 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 36' ' ' PRO . 13.3 m-85 -40.54 -41.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 111.032 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' O ' ' O ' ' A' ' 102' ' ' LYS . 28.9 tt0 65.0 77.11 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.33 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.49 ' HG2' ' CB ' ' A' ' 32' ' ' PHE . 0.0 OUTLIER 42.67 -164.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.546 1.154 . . . . 0.0 109.276 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 171.68 172.46 0.19 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 174.62 12.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 0.0 110.982 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -54.7 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.481 1.78 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.77 -41.85 1.64 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.32 -57.22 3.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.955 ' CD2' HD23 ' A' ' 33' ' ' LEU . 0.5 OUTLIER -44.15 -35.03 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 111.033 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.765 HD12 HG13 ' A' ' 18' ' ' VAL . 2.7 mm? -81.84 -44.47 16.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -27.0 61.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.31 -47.42 8.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.329 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.594 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 0.7 OUTLIER -51.2 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.988 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.824 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -47.14 -46.85 23.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.537 ' O ' ' N ' ' A' ' 118' ' ' LYS . 16.6 m -60.84 -62.69 1.67 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.999 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.886 HD13 ' CE2' ' A' ' 51' ' ' PHE . 8.3 tt -37.51 -35.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.824 HD12 ' HA ' ' A' ' 113' ' ' LYS . 4.9 mt -70.07 -62.88 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.497 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 4.7 pt20 -66.52 -4.19 7.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.537 ' N ' ' O ' ' A' ' 114' ' ' SER . 6.1 tttp -88.62 -72.93 0.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.105 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.483 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.0 OUTLIER -87.95 -66.0 0.96 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 110.999 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.483 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -34.55 -57.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.542 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.3 t-80 -42.03 -52.35 4.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.565 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 119' ' ' MET . 74.1 mm-40 -36.92 -43.63 0.46 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 110.259 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -40.19 -56.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.627 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.564 HD21 ' HG3' ' A' ' 8' ' ' MET . 10.9 mp -50.9 -52.21 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.0 m -57.55 -65.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 1.123 . . . . 0.0 110.024 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -97.41 101.54 13.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.491 1.12 . . . . 0.0 109.953 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.505 ' NH2' ' NE2' ' A' ' 7' ' ' HIS . 6.0 ttt180 -112.23 1.73 16.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 17.9 p -78.01 55.65 1.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 110.412 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -106.21 -79.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.578 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 163.92 -64.56 0.24 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.54 1.15 . . . . 0.0 110.96 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.2 p 63.1 114.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -112.1 117.88 33.83 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -79.67 114.5 18.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.513 0.197 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -157.71 81.91 0.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 110.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.42 135.74 14.55 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -122.76 -62.95 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 0.779 . . . . 0.0 110.259 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.484 ' CB ' ' HB2' ' A' ' 8' ' ' MET . 3.0 m-20 -52.19 129.71 28.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' C ' HG22 ' A' ' 9' ' ' ILE . 9.6 ptt180 -91.31 -29.56 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 10' ' ' ARG . 2.0 t-160 -82.29 -62.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.484 ' HB2' ' CB ' ' A' ' 5' ' ' ASP . 10.4 mtp -40.14 -27.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.441 ' N ' ' O ' ' A' ' 7' ' ' HIS . 0.0 OUTLIER -86.72 -46.5 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.689 ' O ' HD23 ' A' ' 14' ' ' LEU . 4.5 ttm180 -57.69 -31.48 66.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.74 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -87.8 -36.99 16.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 111.012 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.451 ' N ' ' SD ' ' A' ' 11' ' ' MET . 9.5 mtp180 -54.21 -48.2 71.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 56.3 mm-40 -62.31 -47.1 85.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.322 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.967 ' HB3' HD13 ' A' ' 116' ' ' LEU . 2.5 mm? -46.51 -53.94 10.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.768 HG23 ' HG3' ' A' ' 113' ' ' LYS . 4.2 mp -70.32 -24.95 26.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -70.71 -64.45 0.9 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.143 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HD11 HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -50.56 -43.66 23.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.841 HG23 ' O ' ' A' ' 14' ' ' LEU . 54.2 t -55.22 -54.86 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.8 -38.46 90.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.531 ' O ' ' CD2' ' A' ' 24' ' ' TYR . 0.9 OUTLIER -62.38 -48.45 79.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.327 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.992 HD21 ' CD2' ' A' ' 28' ' ' LEU . 0.2 OUTLIER -66.69 -39.39 88.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.904 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -50.39 -60.16 3.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.572 1.17 . . . . 0.0 109.341 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -53.59 -20.52 5.22 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 20' ' ' GLN . 16.4 m-85 -103.47 29.2 5.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 22' ' ' LYS . 3.9 t -60.18 -31.36 47.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 109.33 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -51.3 -21.67 2.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.56 47.6 1.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.992 ' CD2' HD21 ' A' ' 21' ' ' LEU . 16.7 mt -121.54 140.13 52.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.143 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.48 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.3 OUTLIER -102.45 119.92 54.7 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 103.22 1.69 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.504 1.792 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -133.86 162.49 31.88 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 110.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -65.26 90.69 0.1 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.701 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.5 OUTLIER -98.18 129.92 29.66 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 109.287 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 123.16 7.69 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.471 1.774 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -129.78 136.38 28.99 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.501 ' CG ' ' HB1' ' A' ' 47' ' ' ALA . 18.4 Cg_endo -74.99 126.68 10.13 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.417 ' O ' ' O ' ' A' ' 38' ' ' ASP . 4.9 tt0 -100.19 110.75 23.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.245 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 37' ' ' GLU . 10.0 t0 54.21 104.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.322 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.812 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -110.35 146.39 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 109.26 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.498 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 31.4 tt0 -55.79 165.75 0.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.432 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -50.57 -43.83 56.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.412 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -112.34 50.41 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.498 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 1.1 m -128.14 -38.71 1.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 108.295 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.725 ' CG ' HD21 ' A' ' 115' ' ' LEU . 39.3 mp0 -34.41 -42.83 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CH2' HG13 ' A' ' 120' ' ' ILE . 84.5 m95 -59.47 -60.59 3.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 107.937 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' N ' ' O ' ' A' ' 43' ' ' CYS . 96.9 p -51.9 -23.58 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 110.04 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.812 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -79.88 -27.78 39.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' N ' ' O ' ' A' ' 45' ' ' TRP . 12.3 t80 -49.75 -37.03 27.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 111.029 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.43 -44.46 95.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.018 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 59.2 m -45.44 -65.27 0.56 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 0.0 108.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.501 ' HB3' ' CD2' ' A' ' 112' ' ' PHE . 86.8 m-85 -52.41 -20.25 2.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.975 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 53' ' ' LYS . 1.4 tt0 -76.12 -40.58 52.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.116 . . . . 0.0 110.307 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 52' ' ' GLN . 27.8 mmtt -82.28 -23.72 35.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.701 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -50.79 -47.25 59.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 57.99 108.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.766 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.36 118.6 18.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.289 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.48 ' O ' HG12 ' A' ' 29' ' ' VAL . 5.4 tptt -109.46 126.3 53.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 60' ' ' ASN . 1.6 p -88.27 151.0 22.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 110.036 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -47.15 -25.54 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.413 ' N ' ' C ' ' A' ' 58' ' ' SER . 69.5 m-20 52.3 72.46 0.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.66 4.96 4.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 110.411 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.492 ' O ' ' CB ' ' A' ' 63' ' ' ASN . . . 89.76 109.99 1.31 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 62' ' ' GLY . 3.4 m-20 156.27 -86.6 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.589 ' CA ' HG22 ' A' ' 67' ' ' ILE . 20.5 m-20 -97.12 -14.8 21.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 64' ' ' ASN . 8.9 tm-20 -38.51 -30.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.655 ' O ' HG13 ' A' ' 70' ' ' VAL . 6.6 tpt180 -85.52 -48.03 9.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.885 ' O ' HG22 ' A' ' 70' ' ' VAL . 4.7 tp -64.17 -11.58 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.508 ' CG1' HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -88.56 -48.33 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -51.89 -23.92 5.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.297 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.885 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -71.35 -33.04 48.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.298 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ILE . 56.8 m -78.76 -48.29 15.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.102 . . . . 0.0 110.026 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.4 mt -43.56 -52.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.094 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 19.7 mttt -44.88 -69.85 0.12 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.28 -56.23 20.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -40.94 -43.41 2.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 109.256 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -74.8 57.84 0.79 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -94.59 158.51 15.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.3 148.01 33.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.33 16.57 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.486 1.782 . . . . 0.0 110.974 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.536 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.0 -167.03 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.509 1.794 . . . . 0.0 111.038 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -39.33 -54.98 1.8 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.681 ' O ' HG23 ' A' ' 82' ' ' THR . 9.0 t -74.81 81.84 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.406 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 46.2 t-20 -79.94 -57.0 3.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' A' ' 83' ' ' ASN . . . 71.85 125.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.348 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -137.44 -61.46 0.05 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.16 . . . . 0.0 111.007 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.04 -49.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -47.47 171.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.252 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -44.63 124.88 4.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -42.33 4.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 92' ' ' LEU . 5.8 t-160 70.46 -59.39 0.52 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.885 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.9 mmt180 -65.45 70.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.328 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.885 HD12 ' O ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER 62.37 135.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.105 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 13.1 m -113.28 94.6 4.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.41 ' SG ' ' OG ' ' A' ' 46' ' ' SER . 4.2 m -56.27 151.83 25.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.447 1.092 . . . . 0.0 108.289 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 96' ' ' SER . 18.1 Cg_endo -75.0 76.53 3.38 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.467 1.772 . . . . 0.0 110.992 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 95' ' ' PRO . 2.6 m 58.1 157.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.056 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.13 -54.44 4.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 0.0 108.304 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -109.79 83.25 1.72 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.0 m -154.67 40.54 0.45 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.982 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.461 ' O ' ' CB ' ' A' ' 101' ' ' GLU . 45.2 m-85 -129.91 -61.79 0.98 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 100' ' ' TYR . 3.2 tt0 164.11 138.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -57.15 -161.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.456 1.097 . . . . 0.0 109.27 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 33' ' ' LEU . 1.2 mttp -178.16 168.08 1.03 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.419 ' CD ' ' HG2' ' A' ' 103' ' ' LYS . 18.2 Cg_endo -75.01 172.92 15.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.518 1.799 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.1 Cg_endo -74.98 -38.28 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.449 1.762 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -57.24 -49.51 75.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.28 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 111' ' ' ARG . 0.5 OUTLIER -71.41 -58.85 3.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.747 ' CD2' HD22 ' A' ' 109' ' ' LEU . 2.1 t80 -37.69 -35.91 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.027 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.784 ' HG ' HD12 ' A' ' 21' ' ' LEU . 2.0 mm? -83.88 -47.16 11.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.313 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.416 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.1 OUTLIER -62.47 -17.27 59.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.313 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -93.99 -46.9 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.511 ' CE1' HD21 ' A' ' 116' ' ' LEU . 1.1 t80 -58.57 -59.56 5.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.006 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.919 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.1 OUTLIER -49.61 -43.49 46.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -62.28 -51.15 68.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.006 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.725 HD21 ' CG ' ' A' ' 44' ' ' GLU . 2.9 tm? -50.65 -34.03 24.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.967 HD13 ' HB3' ' A' ' 14' ' ' LEU . 0.9 OUTLIER -79.08 -52.29 8.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.434 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.8 OUTLIER -67.49 -5.35 14.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 110.313 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 8.3 mtpt -98.4 -72.07 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.493 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -76.67 -70.71 0.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.966 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.57 HG13 ' CH2' ' A' ' 45' ' ' TRP . 1.4 mp -38.36 -47.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 117' ' ' GLN . 0.3 OUTLIER -65.21 -74.84 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.618 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.493 ' HG2' ' HA ' ' A' ' 119' ' ' MET . 2.6 pt20 -40.69 -28.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.425 ' N ' ' C ' ' A' ' 121' ' ' HIS . 8.2 t-160 -42.68 -50.46 5.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.553 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.47 -52.82 16.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 75.4 -57.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.018 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.6 120.05 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.978 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -151.48 177.68 10.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . 0.437 HG23 ' O ' ' A' ' 128' ' ' THR . 2.6 t -93.41 20.71 6.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -113.13 -49.15 2.93 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.135 . . . . 0.0 109.608 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -161.86 118.14 0.81 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.433 1.083 . . . . 0.0 110.987 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.9 t -102.27 131.26 48.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.97 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -38.87 126.01 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 1.15 . . . . 0.0 110.307 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 -40.49 136.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.031 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.9 mtp . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.491 0.186 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.7 172.72 0.74 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.43 152.89 22.33 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.554 1.159 . . . . 0.0 110.981 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 57.1 mm-40 -141.74 146.0 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 0.788 . . . . 0.0 110.343 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -56.19 146.67 22.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.66 -20.08 57.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.309 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.554 ' C ' HD21 ' A' ' 124' ' ' LEU . 56.2 m80 -88.23 -31.89 18.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.109 . . . . 0.0 109.581 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -34.24 74.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.9 pp -83.75 -30.84 7.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 14.7 tpt85 -47.24 -40.16 15.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.854 ' O ' HD12 ' A' ' 15' ' ' ILE . 0.5 OUTLIER -94.07 -28.98 15.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 15.7 ttt85 -60.59 -57.88 10.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.316 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -46.07 -35.08 4.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.725 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.6 mt -67.17 -67.35 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.854 HD12 ' O ' ' A' ' 11' ' ' MET . 2.5 mp -50.28 -34.41 11.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -71.51 -42.78 67.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -57.81 -42.23 81.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.982 HG13 HD12 ' A' ' 109' ' ' LEU . 2.7 t -65.65 -62.8 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -43.98 -31.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.272 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -69.41 -53.95 16.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.941 HD11 HD11 ' A' ' 28' ' ' LEU . 0.3 OUTLIER -64.68 -37.49 87.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.71 ' HA ' HG13 ' A' ' 25' ' ' VAL . 1.5 mtmp? -57.87 -46.12 85.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -69.27 -5.56 23.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.548 1.155 . . . . 0.0 109.354 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.608 ' HB3' HD11 ' A' ' 68' ' ' ILE . 7.9 m-85 -122.47 21.5 10.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.978 HG12 HD12 ' A' ' 28' ' ' LEU . 12.0 m -58.7 -21.41 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.333 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -45.58 -24.98 0.39 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.457 ' OD2' ' N ' ' A' ' 64' ' ' ASN . 33.9 m-20 -121.3 56.17 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.978 HD12 HG12 ' A' ' 25' ' ' VAL . 7.3 mt -122.33 134.03 54.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 57' ' ' LYS . 1.2 p -90.44 121.26 68.64 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.426 1.079 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 105.04 2.01 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.529 1.805 . . . . 0.0 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -131.95 162.1 31.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.487 ' HA ' ' CD ' ' A' ' 102' ' ' LYS . 3.1 m-30 -65.94 91.59 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.837 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -100.89 133.87 20.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 33' ' ' LEU . 18.5 Cg_endo -74.99 126.94 10.29 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.495 1.787 . . . . 0.0 111.0 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' HB3' ' HD3' ' A' ' 103' ' ' LYS . . . -128.67 127.12 23.53 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 130.74 13.55 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.471 1.774 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -104.29 111.56 24.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.1 t0 57.18 106.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.56 1.162 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.917 HG12 ' SG ' ' A' ' 43' ' ' CYS . 0.0 OUTLIER -117.49 137.16 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.31 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.513 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 18.7 tt0 -55.07 161.7 1.6 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -45.74 -46.35 15.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 0.0 110.376 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.654 ' CB ' HD13 ' A' ' 92' ' ' LEU . 25.4 m120 -103.63 44.58 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.917 ' SG ' HG12 ' A' ' 39' ' ' VAL . 42.1 t -124.16 -42.31 2.14 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.295 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.619 ' HB3' HD11 ' A' ' 115' ' ' LEU . 54.5 mp0 -36.46 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.468 ' N ' ' O ' ' A' ' 43' ' ' CYS . 92.0 m95 -74.7 -57.41 3.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.555 1.159 . . . . 0.0 107.962 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -56.88 -16.95 7.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.442 1.089 . . . . 0.0 110.035 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.763 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -89.78 -30.65 17.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 48' ' ' PHE . 7.8 t80 -51.94 -23.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 110.996 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.2 p -75.58 -19.1 59.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.992 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 98.2 m -69.51 -30.94 68.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.278 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.56 ' HB3' ' CE2' ' A' ' 112' ' ' PHE . 97.5 m-85 -85.2 -9.08 58.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.135 . . . . 0.0 110.945 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -25.61 36.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.417 ' O ' ' C ' ' A' ' 54' ' ' ALA . 2.7 mmtt -96.41 -33.19 11.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.837 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -39.24 -55.31 1.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 64.14 103.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.331 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.87 HD11 HD21 ' A' ' 28' ' ' LEU . 3.1 tm? -77.78 129.71 35.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' O ' HG12 ' A' ' 29' ' ' VAL . 23.6 tptt -131.18 143.97 51.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.585 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.5 OUTLIER -84.92 160.28 20.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.84 -66.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 4.7 m-20 154.59 -51.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.3 -14.89 26.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.41 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -51.74 143.4 18.66 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.1 . . . . 0.0 110.971 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -71.11 -45.97 62.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.764 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.565 ' HB2' HD13 ' A' ' 68' ' ' ILE . 4.3 m120 -61.01 -14.78 25.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.117 . . . . 0.0 109.274 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' HA ' ' CB ' ' A' ' 58' ' ' SER . 6.3 tm-20 -35.71 -41.95 0.23 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -74.24 -58.37 3.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.272 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.927 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -53.17 -21.23 3.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.893 HG13 HD23 ' A' ' 21' ' ' LEU . 0.8 OUTLIER -84.13 -29.57 7.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.147 . . . . 0.0 109.304 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.49 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 10.0 t30 -75.02 -4.51 38.75 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.927 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -80.39 -34.45 14.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.415 ' O ' ' CB ' ' A' ' 75' ' ' LEU . 3.3 m -75.08 -12.72 60.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' O ' ' A' ' 56' ' ' LEU . 16.1 mm -65.28 -55.0 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.12 -55.78 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' N ' ' A' ' 76' ' ' LYS . 1.4 mptp? -67.08 -57.88 5.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' HA ' ' NH2' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -44.52 -26.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 72' ' ' ILE . 2.6 mtmm -85.63 47.02 1.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.61 HH11 HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -100.95 163.36 12.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 110.313 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -106.73 152.17 40.73 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.324 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 116.1 4.49 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.458 1.768 . . . . 0.0 111.009 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.63 5.18 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.52 1.8 . . . . 0.0 111.014 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.0 t 61.87 -84.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 110.044 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 82' ' ' THR . 9.9 t -122.66 78.28 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 110.398 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.441 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 3.8 m120 -40.64 -46.32 2.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 83' ' ' ASN . . . 68.56 168.19 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.573 1.17 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 100.21 82.61 1.68 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 87' ' ' ARG . 0.8 OUTLIER -169.66 87.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 110.318 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 88' ' ' GLN . 3.4 ptt180 37.06 77.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.47 ' CB ' ' O ' ' A' ' 87' ' ' ARG . 2.7 tt0 83.87 159.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -107.04 85.07 2.07 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.464 1.103 . . . . 0.0 109.251 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.5 ' CD2' ' C ' ' A' ' 90' ' ' HIS . 0.8 OUTLIER -53.39 -44.94 69.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 109.595 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.588 ' HB3' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -33.6 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.654 HD13 ' CB ' ' A' ' 42' ' ' ASN . 1.6 mp -141.93 -177.41 5.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.588 1.18 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 27.9 p -77.47 128.66 34.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.414 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 1.5 t -175.43 136.21 0.51 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 108.319 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 144.83 30.54 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 15.8 m -81.23 -178.64 7.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.023 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 106.69 18.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 108.313 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 t70 170.61 -39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 14.5 p -57.28 -36.5 71.1 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.044 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -82.54 178.27 8.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.163 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -108.95 -75.49 0.63 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -175.35 -158.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.321 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.472 ' HD3' ' HB3' ' A' ' 35' ' ' ALA . 0.4 OUTLIER -175.36 173.54 0.95 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 174.03 13.49 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.487 1.783 . . . . 0.0 111.023 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.443 ' HB2' HD13 ' A' ' 28' ' ' LEU . 18.3 Cg_endo -75.02 -61.91 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.456 1.766 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -40.64 -40.23 1.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' A' ' 110' ' ' GLU . 15.4 mt-10 -75.09 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.65 ' CZ ' ' CB ' ' A' ' 54' ' ' ALA . 67.7 t80 -40.14 -34.91 0.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 111.035 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.982 HD12 HG13 ' A' ' 18' ' ' VAL . 2.5 mm? -80.51 -45.48 17.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -61.64 -22.4 65.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.53 -46.48 9.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 110.293 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.56 ' CE2' ' HB3' ' A' ' 51' ' ' PHE . 1.0 OUTLIER -60.1 -58.34 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.74 ' CG ' HG23 ' A' ' 15' ' ' ILE . 15.6 ttpt -47.99 -50.82 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -61.21 -57.99 10.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.989 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 44' ' ' GLU . 1.6 tm? -39.9 -34.04 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.1 mt -73.37 -64.26 1.02 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.333 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.464 ' HA ' ' HB2' ' A' ' 121' ' ' HIS . 0.3 OUTLIER -61.5 -6.54 2.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.5 ' N ' ' O ' ' A' ' 114' ' ' SER . 7.3 mttm -88.45 -71.08 0.6 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 109.34 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.459 ' O ' ' C ' ' A' ' 120' ' ' ILE . 0.8 OUTLIER -87.81 -64.5 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.556 HG12 HD23 ' A' ' 116' ' ' LEU . 1.2 mp -36.09 -57.58 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.589 ' CD2' ' SD ' ' A' ' 11' ' ' MET . 1.6 t-80 -40.9 -55.35 2.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.596 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.451 ' HG2' ' O ' ' A' ' 119' ' ' MET . 1.7 mm100 -38.43 -39.7 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.409 ' CB ' ' O ' ' A' ' 120' ' ' ILE . 25.0 t60 -39.54 -47.49 1.91 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.558 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.554 HD21 ' C ' ' A' ' 7' ' ' HIS . 2.5 mm? -59.56 -51.82 68.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -167.57 -74.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.972 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -166.77 179.66 5.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.8 ttp-105 -72.54 165.52 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 6.8 m -73.59 100.18 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 0.0 110.416 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -53.17 169.34 0.11 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.615 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.31 -173.37 55.21 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.509 1.13 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.52 158.37 19.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.65 -66.71 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -139.48 147.1 40.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 110.004 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmm? . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.537 0.208 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -101.77 -61.05 1.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 0.0 110.325 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -103.19 -78.35 1.27 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.526 1.141 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -78.57 138.09 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 110.326 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.44 ' OD2' ' CB ' ' A' ' 7' ' ' HIS . 20.7 t70 -88.66 105.25 17.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.314 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.753 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.0 OUTLIER -45.97 -39.52 9.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 0.0 110.311 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 10' ' ' ARG . 0.1 OUTLIER -54.24 -69.4 0.13 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.605 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.418 ' O ' ' C ' ' A' ' 9' ' ' ILE . 2.2 ttm -38.8 -57.35 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.982 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.753 HD12 ' HA ' ' A' ' 6' ' ' ARG . 7.7 mt -38.48 -40.25 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.105 . . . . 0.0 109.322 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.45 ' CB ' ' O ' ' A' ' 7' ' ' HIS . 21.9 tpp180 -43.84 -58.24 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.327 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.736 ' O ' HD12 ' A' ' 15' ' ' ILE . 8.6 ptp -90.36 -33.94 15.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.023 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -49.49 62.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.319 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -57.75 -43.46 85.43 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.335 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.534 ' O ' HG23 ' A' ' 18' ' ' VAL . 29.0 mt -53.95 -68.24 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.446 1.091 . . . . 0.0 109.281 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.736 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -41.65 -46.1 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.36 -47.89 80.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.53 1.144 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.572 HD13 ' HG2' ' A' ' 74' ' ' LYS . 0.3 OUTLIER -51.39 -52.7 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.905 ' HA ' HD23 ' A' ' 21' ' ' LEU . 10.7 t -52.86 -69.43 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 18' ' ' VAL . 39.1 t0 -38.53 -42.63 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -55.61 -49.43 72.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 110.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.905 HD23 ' HA ' ' A' ' 18' ' ' VAL . 0.1 OUTLIER -76.11 -36.57 58.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.475 ' N ' ' HG ' ' A' ' 21' ' ' LEU . 10.0 ttpp -62.14 -36.42 81.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.32 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -66.26 -13.85 61.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 64' ' ' ASN . 10.5 m-30 -112.31 23.74 13.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.57 HG21 ' HG3' ' A' ' 106' ' ' LYS . 10.3 p -48.59 -36.51 7.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -51.97 -21.2 2.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.448 ' OD1' ' ND2' ' A' ' 64' ' ' ASN . 2.6 m-20 -116.41 46.82 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.777 ' CD2' HD11 ' A' ' 56' ' ' LEU . 17.6 mt -122.52 148.89 44.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.4 p -102.24 120.48 53.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.233 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . 18.2 Cg_endo -74.99 114.16 3.96 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.459 1.768 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -141.64 162.06 36.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 m-85 -65.4 93.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.865 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.9 OUTLIER -110.71 131.21 22.21 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 104.0 1.83 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.411 ' HB3' ' HB2' ' A' ' 103' ' ' LYS . . . -115.3 114.56 42.98 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.3 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.867 ' HB2' HG13 ' A' ' 39' ' ' VAL . 18.5 Cg_endo -74.99 127.29 10.57 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.508 1.794 . . . . 0.0 111.054 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.434 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 5.7 tt0 -116.18 118.72 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.154 . . . . 0.0 110.285 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 37' ' ' GLU . 5.2 t70 77.44 39.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.867 HG13 ' HB2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -45.87 153.1 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.287 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.481 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 30.3 tt0 -55.97 165.78 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.436 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -46.72 -52.43 13.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' OD1' HG22 ' A' ' 41' ' ' THR . 5.0 m120 -109.99 52.83 0.71 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.257 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.481 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.1 OUTLIER -119.35 -31.33 4.67 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 108.275 -179.972 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.627 ' HB3' HD11 ' A' ' 115' ' ' LEU . 1.5 mt-10 -37.53 -30.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.265 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 43' ' ' CYS . 97.1 m95 -81.89 -55.13 4.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 107.96 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 43' ' ' CYS . 0.4 OUTLIER -54.59 -19.31 5.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.998 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.742 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -82.75 -36.15 25.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -43.3 -46.08 6.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -70.38 -41.67 72.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.964 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.7 m -53.45 -41.56 66.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 108.269 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.747 ' CG ' ' CD1' ' A' ' 112' ' ' PHE . 19.2 m-85 -60.78 -26.02 66.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -73.09 -49.24 29.62 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.3 tptt -52.91 -45.41 67.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.743 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -40.74 -60.89 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.321 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 44.1 tt0 67.22 96.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.807 HD13 ' N ' ' A' ' 57' ' ' LYS . 2.7 tm? -73.69 148.77 42.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.807 ' N ' HD13 ' A' ' 56' ' ' LEU . 19.4 tptt -140.67 153.04 45.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 2.2 t -92.6 154.17 18.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.044 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.449 ' O ' ' CB ' ' A' ' 60' ' ' ASN . . . -37.52 -31.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.7 OUTLIER 77.85 35.62 0.28 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 60' ' ' ASN . 10.7 t -176.44 -35.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.435 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -40.11 -87.96 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.562 1.163 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -171.7 -64.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 0.794 . . . . 0.0 109.273 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.793 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.4 OUTLIER -73.0 58.44 0.48 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 109.312 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -87.09 -64.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.577 ' O ' HG13 ' A' ' 70' ' ' VAL . 13.4 tpt180 -57.57 -45.01 85.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.915 ' O ' HG22 ' A' ' 70' ' ' VAL . 5.3 tp -57.55 -18.35 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 64' ' ' ASN . 0.4 OUTLIER -87.57 -41.08 14.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.264 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 3.2 t30 -56.45 -25.17 49.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.915 HG22 ' O ' ' A' ' 67' ' ' ILE . 3.1 m -67.63 -35.06 71.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.276 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 70.7 m -72.34 -11.74 60.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.05 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.472 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 14.3 mm -73.89 -47.08 44.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.253 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.81 -63.56 1.08 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.485 1.116 . . . . 0.0 109.284 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.572 ' HG2' HD13 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -56.42 -52.65 63.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.64 HD12 ' HE2' ' A' ' 112' ' ' PHE . 1.0 OUTLIER -40.08 -46.47 2.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -77.62 57.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.87 160.38 15.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.61 133.92 31.77 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.424 ' HG2' ' HA ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -74.98 113.27 3.76 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.506 1.793 . . . . 0.0 110.991 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' A' ' 82' ' ' THR . 18.2 Cg_endo -75.09 -174.8 2.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.544 1.812 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.6 t 66.37 -71.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 109.978 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.628 ' O ' HG23 ' A' ' 82' ' ' THR . 9.3 t -144.22 70.16 1.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.523 1.139 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' O ' ' HB2' ' A' ' 84' ' ' ALA . 1.5 p-10 -40.12 -50.56 2.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.653 ' HB2' ' O ' ' A' ' 83' ' ' ASN . . . 166.75 44.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 48.65 -136.74 17.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.124 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -110.02 -70.08 0.83 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.435 0.727 . . . . 0.0 110.271 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.49 -55.5 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -121.54 100.24 6.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.36 131.63 2.8 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -105.0 -169.44 1.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 109.59 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.7 mtt180 64.45 11.0 6.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.6 pp 176.59 138.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 72.6 p -117.77 47.54 1.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 110.424 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 19.7 m -67.83 145.4 97.93 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 108.329 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -89.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.539 1.81 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 4.0 p -162.03 168.84 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.0 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.28 59.1 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 108.321 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.25 -46.24 1.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 4.5 t -44.0 -31.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.056 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 41.9 m-85 -69.3 -171.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.002 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -113.02 146.04 39.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.279 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.412 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -60.93 170.79 1.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.514 ' CD ' ' NH2' ' A' ' 111' ' ' ARG . 0.2 OUTLIER -154.63 170.06 9.16 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 174.1 13.36 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.647 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.06 -27.91 9.52 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.477 1.778 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.57 ' HG3' HG21 ' A' ' 25' ' ' VAL . 0.1 OUTLIER -61.26 -59.81 4.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 111' ' ' ARG . 1.5 mt-10 -66.45 -46.95 74.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.331 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.865 ' CD2' HD23 ' A' ' 33' ' ' LEU . 9.5 t80 -45.75 -41.28 10.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.86 HD12 HG13 ' A' ' 18' ' ' VAL . 2.2 mm? -80.72 -47.18 14.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -58.15 -22.51 51.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.514 ' NH2' ' CD ' ' A' ' 103' ' ' LYS . 0.1 OUTLIER -88.97 -48.79 7.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 110.285 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.747 ' CD1' ' CG ' ' A' ' 51' ' ' PHE . 7.4 t80 -54.52 -53.98 47.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.984 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.831 ' HA ' HD12 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -51.89 -52.91 46.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.532 ' O ' ' N ' ' A' ' 118' ' ' LYS . 3.8 m -55.81 -64.29 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.023 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.749 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.1 tm? -36.14 -43.71 0.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.267 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.831 HD12 ' HA ' ' A' ' 113' ' ' LYS . 5.2 mt -60.38 -61.05 2.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.59 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 3.1 pt20 -70.22 -2.94 14.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.442 1.089 . . . . 0.0 110.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.532 ' N ' ' O ' ' A' ' 114' ' ' SER . 1.7 tttp -83.97 -73.37 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.495 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 1.9 tpt -94.77 -61.77 1.44 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -37.5 -41.04 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.59 ' CG ' ' HA ' ' A' ' 117' ' ' GLN . 0.0 OUTLIER -63.13 -72.86 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.608 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.495 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 4.8 pt20 -43.51 -35.41 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.4 -26.02 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.59 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.409 ' C ' HD12 ' A' ' 124' ' ' LEU . 1.2 pp -79.82 -36.52 36.8 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.5 1.125 . . . . 0.0 109.328 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.436 ' N ' ' O ' ' A' ' 122' ' ' GLN . 82.4 p -93.26 -175.27 3.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.4 81.52 1.94 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.86 144.47 2.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 9.3 t -97.88 144.05 27.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.72 149.68 45.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 109.603 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 78.59 162.29 21.12 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.031 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.56 165.58 35.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 0.74 . . . . 0.0 110.052 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -68.02 148.62 50.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 5.6 t0 175.58 -55.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.97 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.545 0.212 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 mp0 -145.88 155.27 42.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.284 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -147.26 144.68 12.83 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.498 1.124 . . . . 0.0 111.044 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.54 -67.1 0.3 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 110.3 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -44.65 159.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.18 -23.89 30.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.311 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -83.78 -50.73 7.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.56 1.163 . . . . 0.0 109.585 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttp -49.6 -43.97 46.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.631 HD12 ' N ' ' A' ' 10' ' ' ARG . 2.6 pp -71.01 -43.36 76.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.742 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.1 ttm180 -44.99 -42.41 8.22 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.816 ' O ' HD12 ' A' ' 15' ' ' ILE . 29.9 mtp -58.14 -65.68 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.481 ' O ' ' N ' ' A' ' 16' ' ' ASP . 0.1 OUTLIER -49.2 -49.81 41.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.625 ' O ' HG23 ' A' ' 17' ' ' ILE . 36.0 mm-40 -40.49 -58.42 1.57 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.558 1.161 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.908 ' O ' HG23 ' A' ' 18' ' ' VAL . 0.6 OUTLIER -56.24 -65.69 0.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 11' ' ' MET . 2.6 mp -45.86 -27.54 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 12' ' ' ARG . 7.6 t0 -79.96 -65.82 0.96 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.625 HG23 ' O ' ' A' ' 13' ' ' GLN . 1.5 pp -50.34 -31.42 8.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 14' ' ' LEU . 58.2 t -68.62 -63.66 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -58.38 -27.62 64.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.295 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -73.72 -62.7 1.4 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.326 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -53.81 -29.82 42.27 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.545 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.2 mtpt -60.34 -49.0 79.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.322 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -56.7 -19.15 15.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.695 ' CB ' HD11 ' A' ' 68' ' ' ILE . 7.3 m-85 -100.29 24.55 8.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.648 HG22 HD12 ' A' ' 28' ' ' LEU . 1.3 t -48.24 -31.53 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -52.02 -24.53 6.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.317 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.427 ' O ' ' HA ' ' A' ' 58' ' ' SER . 0.9 OUTLIER -118.13 45.63 1.95 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.046 HD21 HD21 ' A' ' 21' ' ' LEU . 10.6 mt -122.2 108.71 13.61 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -71.44 120.82 82.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.6 2.11 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.516 1.798 . . . . 0.0 111.02 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.59 161.95 33.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -65.69 93.03 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.814 HD23 ' CD2' ' A' ' 108' ' ' PHE . 0.3 OUTLIER -104.18 143.13 26.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 129.41 12.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.481 1.78 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -137.25 108.49 8.8 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.546 ' HD2' ' CZ ' ' A' ' 51' ' ' PHE . 18.4 Cg_endo -74.93 118.43 5.27 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.511 1.795 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.1 115.08 27.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.301 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 64.27 98.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.765 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -107.48 144.92 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.495 ' N ' ' HB2' ' A' ' 43' ' ' CYS . 40.6 tt0 -55.4 165.01 0.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.339 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.44 ' N ' ' CG ' ' A' ' 40' ' ' GLU . 1.0 OUTLIER -43.45 -52.15 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 110.441 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.606 ' HB3' HD22 ' A' ' 92' ' ' LEU . 2.7 m120 -109.22 54.23 0.66 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.495 ' HB2' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -122.01 -37.76 2.8 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 108.303 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 43' ' ' CYS . 14.6 mp0 -35.48 -38.31 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.57 ' CZ3' ' HG3' ' A' ' 80' ' ' PRO . 91.6 m95 -68.7 -57.74 5.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 108.024 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 43' ' ' CYS . 3.6 m -53.46 -21.64 6.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.765 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -84.59 -22.44 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.281 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 45' ' ' TRP . 7.4 t80 -53.55 -33.1 53.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.6 t -66.4 -43.35 86.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.003 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 1.5 m -49.86 -56.46 10.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 108.285 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CZ ' ' HD2' ' A' ' 36' ' ' PRO . 97.9 m-85 -64.1 -22.37 66.91 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.484 1.115 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -49.61 23.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.323 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.44 -7.1 54.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.585 ' O ' HD11 ' A' ' 33' ' ' LEU . . . -55.23 -53.96 49.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 65.18 96.72 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.319 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.686 HD21 HD22 ' A' ' 28' ' ' LEU . 3.1 tm? -75.78 128.51 35.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' O ' HG12 ' A' ' 29' ' ' VAL . 2.3 tptt -128.61 131.89 48.14 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.524 ' OG ' HG21 ' A' ' 68' ' ' ILE . 0.2 OUTLIER -86.4 159.6 19.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 110.011 179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -63.77 -12.96 39.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 62' ' ' GLY . 12.3 m-20 72.61 -60.3 0.54 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 81.5 p -66.15 73.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ASN . . . -156.34 -143.28 3.62 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -124.73 -49.99 1.74 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 0.761 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.66 ' O ' HD13 ' A' ' 68' ' ' ILE . 1.5 p30 -84.48 47.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.401 ' C ' ' CD ' ' A' ' 65' ' ' GLU . 3.1 tm-20 -81.76 -63.87 1.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 110.306 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -55.23 -39.19 69.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.333 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.882 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -60.35 -49.21 85.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.922 HG13 HD23 ' A' ' 21' ' ' LEU . 0.9 OUTLIER -49.31 -35.93 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 72' ' ' ILE . 0.6 OUTLIER -55.19 -20.24 10.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.882 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.9 m -74.66 -32.01 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.7 m -75.89 -11.74 60.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.474 ' CG1' ' HA ' ' A' ' 69' ' ' ASN . 15.7 mm -70.57 -67.87 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 72' ' ' ILE . 0.5 OUTLIER -38.59 -57.08 1.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 109.31 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.07 -66.56 0.41 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 77' ' ' ARG . 0.4 OUTLIER -41.76 -46.86 3.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -69.79 62.74 0.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 75' ' ' LEU . 1.5 tpm_? -87.13 157.05 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.41 136.03 19.24 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.426 ' CG ' ' HB3' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.06 174.09 13.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 110.987 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.57 ' HG3' ' CZ3' ' A' ' 45' ' ' TRP . 18.5 Cg_endo -74.94 65.41 6.01 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.6 m 43.91 49.3 7.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.965 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.722 ' O ' HG23 ' A' ' 82' ' ' THR . 8.7 t -173.55 55.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.408 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.437 ' O ' ' HB3' ' A' ' 84' ' ' ALA . 1.8 p30 -59.79 -55.19 37.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.115 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.931 ' HB2' ' HE3' ' A' ' 89' ' ' LYS . . . 68.07 128.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.278 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -179.65 39.19 0.07 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' ARG . 8.0 ttt-85 179.09 70.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 0.736 . . . . 0.0 110.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.554 ' CG ' ' N ' ' A' ' 88' ' ' GLN . 0.0 OUTLIER 32.94 -151.94 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.554 ' N ' ' CG ' ' A' ' 87' ' ' ARG . 2.0 mt-30 34.96 72.56 0.09 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.931 ' HE3' ' HB2' ' A' ' 84' ' ' ALA . 7.2 tmtt? -159.11 144.34 16.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 91' ' ' ARG . 3.0 t-160 -121.81 -142.13 0.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.578 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.45 ' H ' ' CD2' ' A' ' 90' ' ' HIS . 2.3 ttt-85 76.56 -53.27 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 42' ' ' ASN . 0.4 OUTLIER -143.22 125.25 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -60.64 82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.436 ' N ' ' O ' ' A' ' 92' ' ' LEU . 7.6 m -137.96 131.13 16.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 108.327 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.78 0.31 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.455 1.766 . . . . 0.0 110.993 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 38.2 m -72.45 132.9 44.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.995 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 40.7 t -79.81 -38.97 31.82 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 108.278 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.96 -21.58 4.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.18 79.86 5.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -151.92 -82.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.981 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 179.53 -178.24 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 103' ' ' LYS . 0.4 OUTLIER -108.21 -162.49 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 102' ' ' LYS . 2.6 mttt 168.32 170.86 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 174.55 12.59 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.468 1.773 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.537 ' O ' HD23 ' A' ' 109' ' ' LEU . 18.4 Cg_endo -75.02 -46.92 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.8 . . . . 0.0 111.022 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.67 -43.54 17.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 0.0 109.284 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -75.42 -56.56 4.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.296 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.814 ' CD2' HD23 ' A' ' 33' ' ' LEU . 1.7 t80 -42.87 -28.91 0.28 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.101 . . . . 0.0 111.021 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.726 HD22 ' CD2' ' A' ' 108' ' ' PHE . 3.5 mm? -86.02 -52.35 5.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 109.335 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.56 -20.21 19.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 30.3 mmt180 -93.63 -50.9 5.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.239 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.524 ' CZ ' ' CD2' ' A' ' 14' ' ' LEU . 10.4 t80 -50.17 -58.96 4.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.983 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.855 ' HA ' HD12 ' A' ' 116' ' ' LEU . 5.5 tmtt? -51.78 -49.59 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.503 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.2 OUTLIER -56.56 -53.58 55.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 115' ' ' LEU . 1.7 tm? -47.66 -44.94 27.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.855 HD12 ' HA ' ' A' ' 113' ' ' LYS . 1.9 mt -62.92 -58.11 8.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.327 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.607 ' HA ' ' CG ' ' A' ' 121' ' ' HIS . 0.0 OUTLIER -66.15 -5.03 8.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.9 OUTLIER -84.49 -71.9 0.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.485 ' HA ' ' CG ' ' A' ' 122' ' ' GLN . 0.0 OUTLIER -93.64 -63.22 1.23 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.503 1.127 . . . . 0.0 110.994 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' MET . 1.1 mp -36.42 -47.12 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.145 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.613 ' HA ' ' HE3' ' A' ' 11' ' ' MET . 0.1 OUTLIER -57.24 -71.7 0.09 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.566 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.485 ' CG ' ' HA ' ' A' ' 119' ' ' MET . 15.4 pt20 -46.96 -46.41 21.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.416 ' C ' ' O ' ' A' ' 122' ' ' GLN . 17.6 t-80 -38.83 -48.14 1.5 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.601 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.07 -40.48 45.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 122' ' ' GLN . 3.2 t -50.92 -64.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.37 -56.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.987 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 63.49 92.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 65.2 p -69.57 97.79 1.07 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.421 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 70.31 -64.78 0.35 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 41.37 73.83 0.19 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.544 1.153 . . . . 0.0 111.03 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 87.8 p -174.15 137.02 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 0.763 . . . . 0.0 109.998 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 57.39 169.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 175.04 121.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.1 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.045 179.992 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mpp? . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.524 0.202 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -136.12 163.34 30.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.35 -177.29 22.94 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.532 1.145 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -178.13 117.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 0.784 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -137.73 136.76 37.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.693 ' HA ' HD12 ' A' ' 9' ' ' ILE . 0.9 OUTLIER -50.29 -27.93 6.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.33 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' O ' ' N ' ' A' ' 10' ' ' ARG . 89.4 m-70 -73.06 -68.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.614 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -37.89 -53.51 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.953 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 6' ' ' ARG . 12.8 mt -39.89 -44.44 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.866 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -45.21 -61.12 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.757 ' O ' HD12 ' A' ' 15' ' ' ILE . 3.9 ptt? -76.81 -35.6 57.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' HG3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -54.5 -48.72 71.55 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.552 1.157 . . . . 0.0 110.273 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.499 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 19.2 pt20 -69.24 -25.15 64.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.923 ' O ' HG23 ' A' ' 18' ' ' VAL . 1.5 mm? -63.62 -50.46 69.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 109.324 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.801 HG23 ' HD2' ' A' ' 113' ' ' LYS . 3.0 mp -73.63 -30.11 28.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 -58.83 5.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.499 ' CG1' ' O ' ' A' ' 13' ' ' GLN . 1.6 pp -56.39 -43.22 76.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.923 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.1 t -48.1 -65.78 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -56.14 -38.91 71.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.76 -29.98 63.15 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.138 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.81 HD21 ' CD1' ' A' ' 109' ' ' LEU . 0.2 OUTLIER -89.64 -37.94 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.147 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.913 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -66.52 -32.97 74.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -64.72 -11.7 38.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.344 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.574 ' CB ' HD11 ' A' ' 68' ' ' ILE . 15.2 m-85 -114.21 28.17 8.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.984 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 22' ' ' LYS . 5.1 t -47.08 -32.43 2.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.245 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -53.67 -27.16 25.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.7 42.82 1.92 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 1.015 HD22 HD21 ' A' ' 56' ' ' LEU . 18.8 mt -121.63 127.14 50.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.45 HG12 ' HB3' ' A' ' 57' ' ' LYS . 0.4 OUTLIER -93.39 123.21 61.1 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.53 2.74 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.531 1.806 . . . . 0.0 111.046 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.697 ' HG3' HD13 ' A' ' 33' ' ' LEU . 12.8 pt-20 -131.83 162.52 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -65.65 101.26 0.6 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.758 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 0.4 OUTLIER -115.2 131.56 23.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 127.08 10.39 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.53 1.805 . . . . 0.0 110.982 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -130.88 135.79 27.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HG3' ' HB1' ' A' ' 47' ' ' ALA . 18.1 Cg_endo -75.03 151.31 39.21 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.5 1.789 . . . . 0.0 110.987 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' CG ' ' O ' ' A' ' 37' ' ' GLU . 6.6 pt-20 -125.19 110.66 14.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 55.32 92.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG11 ' HB2' ' A' ' 47' ' ' ALA . 0.0 OUTLIER -103.89 138.31 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.094 . . . . 0.0 109.31 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.505 ' N ' ' HB3' ' A' ' 43' ' ' CYS . 29.4 tt0 -55.36 163.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.332 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.76 -24.12 33.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 110.436 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 67.3 m-80 -119.35 33.02 5.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.638 ' SG ' HG12 ' A' ' 39' ' ' VAL . 35.0 t -119.83 -40.16 2.77 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.606 ' HG2' HD11 ' A' ' 115' ' ' LEU . 2.4 mt-10 -36.67 -31.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' HG23 ' A' ' 82' ' ' THR . 60.6 m95 -68.53 -64.19 0.91 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 107.977 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.427 ' OG ' ' CB ' ' A' ' 84' ' ' ALA . 25.6 t -51.68 -23.01 3.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.843 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -77.14 -29.72 54.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' TRP . 6.3 t80 -49.13 -36.35 18.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.7 p -67.4 -24.33 65.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.953 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 64.1 m -68.93 -34.17 74.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 108.296 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.81 ' HE2' HD23 ' A' ' 115' ' ' LEU . 66.9 m-85 -88.01 -9.35 53.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.36 -53.81 4.63 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 110.362 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.5 ptmt -66.24 -33.08 74.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.758 ' HB1' ' HG ' ' A' ' 33' ' ' LEU . . . -43.73 -72.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 74.24 122.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 110.355 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.015 HD21 HD22 ' A' ' 28' ' ' LEU . 1.3 tm? -91.5 142.95 27.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.3 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.762 ' H ' HD22 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -123.37 142.9 50.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -83.35 160.55 21.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.436 1.085 . . . . 0.0 109.976 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.641 ' HB3' HG23 ' A' ' 61' ' ' THR . . . -70.46 -6.77 38.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.424 ' CB ' ' O ' ' A' ' 59' ' ' ALA . 12.3 m-20 76.67 18.56 1.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.641 HG23 ' HB3' ' A' ' 59' ' ' ALA . 12.3 p -57.6 -31.18 65.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 110.39 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.66 -36.7 3.67 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.464 1.102 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -54.17 -75.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 0.762 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.892 ' O ' HD13 ' A' ' 68' ' ' ILE . 0.8 OUTLIER -102.82 43.61 1.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.336 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.71 -63.7 1.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 67' ' ' ILE . 2.2 ptm180 -60.23 -22.16 62.69 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.301 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.869 ' O ' HG22 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -78.36 -46.96 24.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.892 HD13 ' O ' ' A' ' 64' ' ' ASN . 1.1 mp -50.58 -32.55 10.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.426 1.079 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -61.64 -14.66 32.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.869 HG22 ' O ' ' A' ' 67' ' ' ILE . 2.8 m -79.11 -28.78 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 15.3 m -84.39 -39.84 18.54 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 110.017 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.8 mt -56.59 -58.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -41.52 -46.39 3.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.426 ' C ' ' N ' ' A' ' 76' ' ' LYS . 12.9 mptt -72.01 -63.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.592 HD12 ' CD2' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -40.74 -29.99 0.11 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 109.318 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.426 ' N ' ' C ' ' A' ' 74' ' ' LYS . 0.0 OUTLIER -81.31 52.66 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.667 ' HD3' HD21 ' A' ' 14' ' ' LEU . 1.1 tpt180 -79.76 162.77 24.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.158 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.04 143.58 31.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 173.57 14.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 45' ' ' TRP . 18.3 Cg_endo -75.05 -79.18 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.5 1.789 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.405 ' O ' ' N ' ' A' ' 83' ' ' ASN . 33.5 p -128.77 -50.84 1.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.717 ' O ' HG23 ' A' ' 82' ' ' THR . 12.8 t -70.09 58.6 0.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.411 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 81' ' ' SER . 61.6 t-20 -68.87 -48.81 62.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' CB ' ' OG ' ' A' ' 46' ' ' SER . . . 63.62 134.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -173.15 94.88 0.1 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 0.1 OUTLIER 58.85 167.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 0.787 . . . . 0.0 110.281 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.47 163.45 0.26 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.526 1.141 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -46.02 166.59 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 110.285 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 91' ' ' ARG . 0.0 OUTLIER -122.88 -46.14 2.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.498 ' O ' ' C ' ' A' ' 91' ' ' ARG . 1.4 t-160 67.61 -63.95 0.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 109.599 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.498 ' C ' ' O ' ' A' ' 90' ' ' HIS . 20.5 mtp180 -30.68 -64.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.322 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.419 ' HG ' ' C ' ' A' ' 91' ' ' ARG . 1.2 mp -141.62 -150.02 0.3 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' O ' ' A' ' 93' ' ' THR . 9.5 t -128.39 59.59 1.51 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.506 1.128 . . . . 0.0 110.38 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.24 137.74 20.44 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 108.283 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 150.75 38.6 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.457 1.767 . . . . 0.0 110.984 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 98' ' ' ASP . 0.4 OUTLIER -97.06 159.99 14.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.978 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' CYS . . . . . . . . . . . . . 4.5 m -58.03 89.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 108.282 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.434 ' N ' ' O ' ' A' ' 96' ' ' SER . 2.9 t0 -173.36 -46.32 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.587 ' O ' ' CD1' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -88.56 77.77 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 110.027 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.587 ' CD1' ' O ' ' A' ' 99' ' ' SER . 67.9 m-85 -162.62 -167.34 1.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 110.956 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -129.79 126.07 37.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.323 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.427 ' N ' ' HE3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -45.39 155.05 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.84 162.63 37.47 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 175.33 11.39 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.438 ' HB3' HD23 ' A' ' 56' ' ' LEU . 18.4 Cg_endo -74.92 -57.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.499 1.789 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 105' ' ' PRO . 0.0 OUTLIER -39.5 -47.32 1.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 111' ' ' ARG . 2.4 mt-10 -75.19 -58.21 3.42 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 110.265 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.679 ' HD2' HD22 ' A' ' 109' ' ' LEU . 56.0 t80 -39.65 -37.08 0.47 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.81 ' CD1' HD21 ' A' ' 21' ' ' LEU . 1.7 mm? -78.52 -53.44 7.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.22 -24.55 55.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -90.1 -50.38 6.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.27 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.592 ' CD2' HD12 ' A' ' 75' ' ' LEU . 2.6 t80 -48.43 -61.84 1.8 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . 0.912 ' HB2' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -44.76 -62.32 1.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 118' ' ' LYS . 0.6 OUTLIER -43.02 -49.69 6.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.031 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.81 HD23 ' HE2' ' A' ' 51' ' ' PHE . 2.9 tp -62.87 -35.05 78.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 109.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.712 HD22 ' HB ' ' A' ' 120' ' ' ILE . 0.2 OUTLIER -76.24 -28.52 57.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 113' ' ' LYS . 1.0 OUTLIER -97.31 -0.4 46.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.28 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.506 ' N ' ' O ' ' A' ' 114' ' ' SER . 0.2 OUTLIER -97.75 -50.27 4.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' MET . . . . . 0.481 ' CG ' ' HB2' ' A' ' 44' ' ' GLU . 6.5 tpt -91.59 -74.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 111.025 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . 0.712 ' HB ' HD22 ' A' ' 116' ' ' LEU . 1.2 mp -39.23 -45.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' HIS . . . . . 0.476 ' HB3' ' O ' ' A' ' 117' ' ' GLN . 0.5 OUTLIER -53.44 -70.89 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.62 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 119' ' ' MET . 4.2 pt20 -47.09 -31.64 3.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.418 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 8.1 t60 -57.15 -53.02 62.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.63 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 3.8 mp -50.56 -48.77 57.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.464 ' O ' ' CB ' ' A' ' 126' ' ' SER . 0.3 OUTLIER -77.38 157.06 30.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.998 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.464 ' CB ' ' O ' ' A' ' 125' ' ' SER . 2.7 t 82.45 -67.84 0.08 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.534 1.146 . . . . 0.0 109.957 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -65.09 113.24 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.335 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 4.9 t -120.51 149.22 42.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.394 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -162.04 -57.29 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.589 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -106.54 64.08 0.28 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.502 1.126 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 60.1 p -153.04 83.4 1.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.35 147.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.249 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.29 135.94 56.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.425 1.078 . . . . 0.0 109.984 -179.985 . . . . . . . . 1 1 . 1 stop_ save_