data_1n65_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 1n65 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 36' ' ' PHE . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 73' ' ' ILE . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 36' ' ' PHE . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 36' ' ' PHE . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 73' ' ' ILE . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 36' ' ' PHE . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD2' ' CD ' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 46' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD2' ' CD ' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.483 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.562 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 46' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 66' ' ' PHE . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 28' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 66' ' ' PHE . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 28' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CD ' HD12 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CD ' HD12 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' PHE . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.486 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' PHE . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' PHE . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 70' ' ' VAL . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 66' ' ' PHE . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' PHE . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 70' ' ' VAL . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 66' ' ' PHE . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.56 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' PHE . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' PHE . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 36' ' ' PHE . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 36' ' ' PHE . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' PHE . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' PHE . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 36' ' ' PHE . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 73' ' ' ILE . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 36' ' ' PHE . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.482 ' CD2' ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CE2' HD21 ' A' ' 23' ' ' LEU . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.448 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' CB ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 35' ' ' GLU . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.463 ' O ' ' C ' ' A' ' 36' ' ' PHE . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.547 ' CE2' HG23 ' A' ' 73' ' ' ILE . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.474 HD11 ' CB ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.449 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' ' CG1' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.547 HG23 ' CE2' ' A' ' 36' ' ' PHE . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD2' ' CD ' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 46' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.47 ' CD2' ' CD ' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.57 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.562 ' CD2' ' CD1' ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.483 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.57 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' HG ' ' CD1' ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.562 ' CD1' ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 HD11 ' CD2' ' A' ' 46' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.582 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 HD23 ' CD2' ' A' ' 69' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.449 ' CD2' ' HB2' ' A' ' 69' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.466 ' CD2' HD23 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.582 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 66' ' ' PHE . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p30 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 28' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.515 ' CG ' HD11 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.445 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD22 ' CE2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.557 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD11 ' CE1' ' A' ' 66' ' ' PHE . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.566 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.462 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p30 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' HD11 ' A' ' 28' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.437 HD12 ' CD1' ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CD ' HD12 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.436 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' CD ' HD12 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.473 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' PHE . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.561 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.486 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.561 HD21 ' CE2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.459 ' O ' ' C ' ' A' ' 36' ' ' PHE . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.478 ' CE2' HG22 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.465 HD21 ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 HG22 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' HD11 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.578 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.568 HD11 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.469 HD12 ' CD2' ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.443 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' PHE . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 70' ' ' VAL . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 66' ' ' PHE . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.573 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.567 ' CD2' HD11 ' A' ' 31' ' ' LEU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.407 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.573 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.567 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 36' ' ' PHE . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.457 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.445 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.445 HD13 ' CD2' ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.451 ' CE2' HG21 ' A' ' 70' ' ' VAL . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.429 ' N ' ' O ' ' A' ' 66' ' ' PHE . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.451 HG21 ' CE2' ' A' ' 66' ' ' PHE . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.56 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' PHE . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.58 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.425 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.58 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.456 ' O ' ' C ' ' A' ' 36' ' ' PHE . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.475 ' CD2' HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.571 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.475 HD11 ' CD2' ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 36' ' ' PHE . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.572 ' CZ ' HD23 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' CB ' ' CD2' ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.455 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.412 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' CD2' ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.54 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 32' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.44 HD13 ' CD1' ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.54 HG21 ' CE2' ' A' ' 36' ' ' PHE . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' PHE . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.597 ' CZ ' HD22 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.57 ' CD2' HD11 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD22 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' CG ' HD12 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.57 HD11 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 36' ' ' PHE . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.568 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.469 ' CD2' ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' HD13 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG12 ' CD1' ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . 0.561 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.568 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 3.0 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 3.0 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.489 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 7.9 p-10 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 7.9 p-10 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.484 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 42.4 m-80 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.453 ' HA ' HD22 ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' CA ' ' OE1' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.484 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 42.4 m-80 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.433 ' CE2' ' OE1' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.484 ' OE2' ' ND2' ' A' ' 56' ' ' ASN . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.433 ' OE1' ' CE2' ' A' ' 63' ' ' PHE . 0.0 OUTLIER -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 3.0 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' ' CD2' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.476 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 3.0 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.5 t0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.302 -0.258 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.2 t0 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.0 t0 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.04 167.44 33.48 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.039 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -37.18 2.18 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.26 -50.08 74.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -54.75 41.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 HD22 ' OE1' ' A' ' 35' ' ' GLU . 6.1 mt -49.98 -51.17 43.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.265 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.97 -64.14 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.02 -37.08 69.58 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.552 1.158 . . . . 0.0 111.029 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG22 HD11 ' A' ' 31' ' ' LEU . 21.2 mt -54.77 -54.19 25.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.473 0.749 . . . . 0.0 109.318 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HB2' ' A' ' 63' ' ' PHE . 2.8 t80 -50.18 -51.27 45.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.51 -52.05 66.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.314 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.83 -26.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.408 ' N ' ' C ' ' A' ' 11' ' ' GLU . 8.6 m-85 -95.67 -40.81 9.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.049 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.734 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -64.8 -27.8 69.13 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.39 -37.38 86.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.272 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 2.2 mttm -54.72 -64.84 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' O ' ' O ' ' A' ' 14' ' ' ALA . 4.0 mt-10 -103.73 129.16 51.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 57.37 -179.9 0.77 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -49.63 175.44 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.521 0.777 . . . . 0.0 109.306 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.451 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.2 Cg_endo -74.99 -7.52 19.25 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.51 1.795 . . . . 0.0 110.993 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -109.85 11.28 24.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.422 ' O ' HD22 ' A' ' 23' ' ' LEU . 8.8 mt-30 -119.75 133.75 55.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.22 167.69 10.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.299 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.4 m -138.06 151.4 47.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.85 -59.48 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.559 1.162 . . . . 0.0 109.306 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.83 -35.43 63.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 5.9 mm-40 -70.02 -65.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.321 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -44.72 -46.8 10.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.44 ' HA ' HD11 ' A' ' 46' ' ' LEU . 0.3 OUTLIER -40.87 -57.64 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.283 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.9 mt -54.16 -56.73 15.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 HD11 HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -47.59 -65.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.29 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.003 HD11 HD22 ' A' ' 49' ' ' LEU . 87.9 mt -50.48 -21.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -71.11 -57.12 4.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.07 -51.42 6.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.367 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' LEU . 27.8 tt0 -47.87 -65.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.26 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.463 ' C ' ' O ' ' A' ' 32' ' ' LEU . 13.7 m-85 -150.01 93.63 3.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 -14.93 21.11 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.543 1.812 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -76.84 -32.41 57.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.025 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.464 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -65.17 -21.84 66.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.612 HD21 ' CB ' ' A' ' 32' ' ' LEU . 62.2 mt -74.85 -43.24 55.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' CG ' ' O ' ' A' ' 38' ' ' SER . 4.6 pttt -65.11 -27.43 68.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -48.72 173.82 0.04 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 1.7 mtt -64.62 -11.2 32.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.58 98.44 9.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.969 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -76.27 169.68 17.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.539 HD21 ' HG2' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -46.97 -65.07 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.44 -46.93 38.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.3 mt-10 -54.88 -46.09 74.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.293 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.003 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.27 -58.23 6.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.0 t80 -48.78 -48.63 40.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.1 . . . . 0.0 111.018 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.93 -50.55 48.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 6.4 tt0 -55.05 -55.75 27.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.538 1.149 . . . . 0.0 110.315 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.2 mt -58.66 -55.94 28.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.287 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.13 93.36 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.338 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.6 tttm -112.68 55.97 0.68 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 14.7 p30 -154.23 -178.97 7.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -106.45 75.81 0.23 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -162.2 -50.99 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 0.751 . . . . 0.0 109.325 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.06 77.73 1.32 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.526 1.141 . . . . 0.0 110.989 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -177.87 144.49 0.36 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.485 0.756 . . . . 0.0 110.299 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 62' ' ' SER . 73.4 t -96.45 167.31 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 109.327 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.538 ' N ' HG12 ' A' ' 61' ' ' VAL . 0.5 OUTLIER -151.54 161.7 42.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.027 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.49 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 70.5 t80 -49.77 -45.66 49.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.451 1.095 . . . . 0.0 110.969 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.49 -65.39 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -58.42 -23.62 57.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 110.282 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 46.0 t80 -79.05 -42.59 26.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' CG ' ' O ' ' A' ' 63' ' ' PHE . 1.9 mt-30 -47.16 -25.55 0.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 110.318 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.15 -33.89 54.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD11 HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.08 -42.26 23.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -55.56 -49.84 70.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.163 . . . . 0.0 109.32 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.08 -42.81 69.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.9 mmtt -70.14 -26.55 63.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.426 HD11 ' CD2' ' A' ' 69' ' ' LEU . 8.1 mt -74.84 -49.34 29.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.3 t -72.34 -54.52 9.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.06 165.39 49.29 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 110.016 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -37.57 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.13 -49.8 75.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.325 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.6 -53.5 56.78 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.724 HD22 ' OE2' ' A' ' 35' ' ' GLU . 12.8 mt -50.47 -49.19 55.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.342 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -51.2 -52.4 44.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.99 -46.37 84.57 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.452 1.095 . . . . 0.0 111.037 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.869 HG22 HD11 ' A' ' 31' ' ' LEU . 4.5 mt -54.69 -52.71 38.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 66' ' ' PHE . 1.9 t80 -50.15 -51.42 43.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -60.91 -49.5 77.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 110.325 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLU . 8.1 tmtm? -40.25 -30.44 0.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.793 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.5 m-85 -95.72 -50.25 5.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 110.985 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.817 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -48.13 -35.74 12.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.05 82.47 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' TYR . 1.0 OUTLIER -54.7 -58.84 5.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -116.06 128.84 56.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.257 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 64.14 -179.79 6.8 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CB ' ' CD ' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -52.31 176.46 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.748 . . . . 0.0 109.29 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.468 ' CD ' ' CB ' ' A' ' 19' ' ' ASP . 18.4 Cg_endo -74.97 -18.18 19.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.487 1.783 . . . . 0.0 111.034 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.418 ' O ' ' HA ' ' A' ' 62' ' ' SER . 4.2 m-80 -102.85 7.92 39.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -117.56 132.46 56.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.817 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.06 174.8 5.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.123 . . . . 0.0 109.341 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.0 m -139.53 150.81 45.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.001 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 6.3 ttmt -49.49 -56.0 11.34 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.82 -44.62 86.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.93 -65.41 0.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.26 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.503 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.3 tp -46.17 -50.34 15.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -40.43 -57.32 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.3 mt -54.08 -57.22 11.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.869 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.43 -65.62 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.584 ' CD1' HD22 ' A' ' 49' ' ' LEU . 64.3 mt -49.4 -22.63 1.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.117 . . . . 0.0 109.313 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 1.4 tt0 -70.72 -57.63 4.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.64 -51.0 6.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.366 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.724 ' OE2' HD22 ' A' ' 6' ' ' LEU . 1.8 tt0 -47.77 -65.36 0.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.158 . . . . 0.0 110.284 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.601 ' CE2' HG23 ' A' ' 73' ' ' ILE . 6.0 m-85 -148.47 92.41 4.52 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 110.969 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -13.84 21.37 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.36 -28.34 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD12 HD11 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -70.39 -23.17 62.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.83 -46.23 37.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.53 -32.95 74.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -52.24 173.1 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 18.0 mtm -64.85 -13.63 56.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.424 0.72 . . . . 0.0 110.955 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.8 m -100.74 98.54 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.953 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -78.1 167.81 20.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.47 1.106 . . . . 0.0 110.4 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.571 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -49.81 -64.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -44.85 -46.94 11.05 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.347 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.56 -45.25 89.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.277 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.013 HD23 HD11 ' A' ' 53' ' ' LEU . 0.1 OUTLIER -62.78 -57.31 11.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.23 -179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -39.78 -50.39 2.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 110.955 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -75.24 -43.11 53.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -55.83 -57.84 10.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.271 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.013 HD11 HD23 ' A' ' 49' ' ' LEU . 7.3 mt -53.98 -53.63 50.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.499 ' OD1' ' CA ' ' A' ' 57' ' ' GLY . 31.5 t0 -71.64 95.17 1.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 10.4 ttmt -85.2 -67.08 0.83 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.338 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.451 ' ND2' ' OD2' ' A' ' 58' ' ' ASP . 1.4 p-10 -51.76 -59.21 4.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.499 ' CA ' ' OD1' ' A' ' 54' ' ' ASP . . . 144.46 -112.03 0.65 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.565 1.166 . . . . 0.0 110.965 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' ND2' ' A' ' 56' ' ' ASN . 11.8 m-20 59.77 16.07 5.29 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.463 0.743 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 58' ' ' ASP . . . 36.82 62.0 0.86 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 170.39 158.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 0.786 . . . . 0.0 110.309 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 41.9 t -97.61 155.12 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER -130.17 157.22 43.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.028 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.583 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 15.5 t80 -49.76 -53.93 22.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 110.953 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -55.92 -54.84 39.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.87 -30.4 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.503 ' CD2' ' CD2' ' A' ' 10' ' ' PHE . 46.0 t80 -77.85 -39.8 42.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 111.04 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.583 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.8 mt-30 -47.31 -27.52 1.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.133 . . . . 0.0 110.32 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.87 -35.28 63.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.664 HD22 HD21 ' A' ' 49' ' ' LEU . 5.6 tp -80.01 -42.71 23.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -52.49 -46.43 47.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.82 -43.43 72.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.4 mmtm -70.63 -28.5 64.87 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.5 1.125 . . . . 0.0 109.313 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.601 HG23 ' CE2' ' A' ' 36' ' ' PHE . 12.7 mt -74.98 -46.58 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.25 -54.97 7.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 1.114 . . . . 0.0 110.002 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.539 1.15 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p30 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -77.64 151.81 80.27 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.988 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -34.79 3.54 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.54 -46.45 80.66 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.1 -58.3 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.302 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mt -51.41 -51.9 50.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.99 -65.04 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 109.274 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.87 -47.44 65.59 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.45 1.094 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.9 mt -54.65 -56.63 9.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.744 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.8 t80 -50.24 -50.45 49.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -60.82 -49.27 78.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -42.98 -29.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.534 ' CD1' HD12 ' A' ' 31' ' ' LEU . 13.7 m-85 -95.94 -49.0 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.774 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.21 -32.44 55.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.16 76.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.77 -62.53 1.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.5 mt-10 -105.22 129.27 53.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.81 -179.98 0.21 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -45.47 164.34 0.19 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.489 0.758 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.17 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.442 1.759 . . . . 0.0 110.983 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -106.08 0.87 25.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -118.02 142.16 47.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.774 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.78 174.03 6.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.9 m -138.98 152.7 47.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.558 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 0.1 OUTLIER -49.69 -59.65 3.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -44.72 74.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.345 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.427 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 3.8 mt-10 -59.86 -65.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.318 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' HG ' HD11 ' A' ' 32' ' ' LEU . 1.8 tp -44.84 -51.36 9.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -40.78 -57.74 1.85 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.304 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.9 mt -54.17 -57.45 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.3 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.605 ' CD1' HD22 ' A' ' 49' ' ' LEU . 82.2 mt -49.62 -22.3 1.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.7 tt0 -70.68 -57.76 4.36 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.322 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.88 -50.99 6.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 110.427 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.549 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.5 tt0 -47.86 -65.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 110.315 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.505 ' CE2' HG21 ' A' ' 73' ' ' ILE . 8.2 m-85 -148.78 91.86 4.54 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.978 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.2 Cg_endo -75.08 -12.45 21.36 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.39 -37.03 86.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.526 1.141 . . . . 0.0 109.963 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.454 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -65.06 -23.52 67.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 109.308 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.465 HD12 ' HA ' ' A' ' 37' ' ' PRO . 26.8 mt -78.16 -0.39 28.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.312 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -103.4 -38.87 7.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -47.97 176.78 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 111.027 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 26.4 mtt -68.37 -14.37 62.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 0.769 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.57 9.09 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.503 1.127 . . . . 0.0 109.976 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.2 p -79.86 169.6 17.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.38 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.514 ' CD2' HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -42.74 -65.07 0.52 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.357 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.61 -48.55 14.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.291 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.04 -46.15 82.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.254 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -60.56 -57.98 10.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.3 t80 -39.95 -47.03 2.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -75.1 -46.92 31.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.319 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.12 -56.29 21.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.277 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.009 HD11 HD23 ' A' ' 49' ' ' LEU . 5.4 mt -59.94 -59.12 5.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.495 ' OD2' ' CA ' ' A' ' 60' ' ' GLU . 4.2 t0 -74.97 -163.18 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.66 72.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.9 p30 176.47 57.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 48.67 67.56 1.62 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -149.44 -58.0 0.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 0.734 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 107.94 -45.6 1.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.523 1.14 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.495 ' CA ' ' OD2' ' A' ' 54' ' ' ASP . 0.4 OUTLIER -124.25 -174.63 3.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 0.762 . . . . 0.0 110.291 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.546 HG12 ' N ' ' A' ' 62' ' ' SER . 33.5 t -97.03 170.01 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.546 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -153.01 161.26 42.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.973 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.744 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -49.89 -46.45 51.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 111.059 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -56.74 -65.41 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.294 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -55.65 -27.44 49.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.302 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 69' ' ' LEU . 31.9 t80 -75.91 -39.47 56.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -46.78 -27.31 1.17 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -59.91 -36.05 64.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.697 HD11 HD11 ' A' ' 49' ' ' LEU . 2.3 tp -75.17 -42.7 55.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.1 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.4 t -56.66 -46.85 83.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.7 ttmt -53.74 -43.3 68.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 mmtp -70.43 -23.22 62.69 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.505 HG21 ' CE2' ' A' ' 36' ' ' PHE . 43.3 mt -77.83 -44.25 28.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.98 -54.55 7.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.047 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.95 167.3 34.68 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.495 1.122 . . . . 0.0 110.035 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -37.7 1.9 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.526 1.803 . . . . 0.0 111.0 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -57.48 -48.97 77.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -53.79 52.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.5 mt -50.81 -52.4 41.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -52.88 -63.27 1.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -51.78 -52.68 33.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.495 1.122 . . . . 0.0 110.958 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.5 mt -54.5 -52.91 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.528 ' CZ ' ' CD1' ' A' ' 63' ' ' PHE . 2.1 t80 -50.43 -51.73 44.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' C ' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -60.96 -47.08 88.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 110.26 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -42.63 -29.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.632 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.2 m-85 -95.89 -49.83 5.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 111.049 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.23 -23.88 16.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.84 -36.55 62.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.157 . . . . 0.0 109.317 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.2 mttt -54.63 -61.26 2.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.468 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.77 129.44 54.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.281 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.61 177.89 0.1 OUTLIER Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -46.86 165.9 0.19 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.482 0.754 . . . . 0.0 109.336 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -9.15 20.7 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.541 1.811 . . . . 0.0 110.984 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 62' ' ' SER . 96.9 m-20 -102.89 15.67 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -133.47 137.02 45.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.66 166.19 11.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.8 m -134.83 153.64 51.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 109.978 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 7.5 ttpt -49.62 -60.8 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.74 -43.44 72.66 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 1.5 mm-40 -61.42 -65.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.32 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -45.27 -46.64 12.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.584 ' HD2' HD13 ' A' ' 46' ' ' LEU . 11.7 tttt -41.01 -57.78 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 12.8 mt -54.08 -57.27 11.71 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -47.84 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.315 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.634 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.91 -22.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.519 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.1 tt0 -70.95 -57.51 4.49 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.27 -51.28 6.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.459 1.099 . . . . 0.0 110.388 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.551 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.8 tt0 -47.72 -65.47 0.56 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.0 m-85 -150.09 91.37 4.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.22 17.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.506 1.793 . . . . 0.0 110.974 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -70.44 -30.29 67.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.017 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -65.34 -23.81 67.09 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.348 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 34.3 mt -74.92 -38.77 61.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.97 -33.91 76.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -46.56 172.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.517 1.136 . . . . 0.0 110.981 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.2 mmt -67.23 -8.7 33.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 0.755 . . . . 0.0 110.985 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.1 m -100.69 98.56 9.09 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.517 1.136 . . . . 0.0 109.982 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -76.19 169.89 17.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.519 1.137 . . . . 0.0 110.429 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.584 HD13 ' HD2' ' A' ' 29' ' ' LYS . 0.3 OUTLIER -49.84 -65.06 0.63 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.28 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.92 -47.01 11.28 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -55.25 -44.61 75.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.925 HD23 HD11 ' A' ' 53' ' ' LEU . 0.3 OUTLIER -65.26 -64.75 0.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 109.298 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 2.8 t80 -39.93 -45.28 1.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.959 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -75.2 -49.81 18.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.339 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.96 -56.43 19.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.925 HD11 HD23 ' A' ' 49' ' ' LEU . 4.2 mt -53.58 -55.01 29.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -65.07 113.72 4.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' N ' ' OE2' ' A' ' 65' ' ' GLU . 5.8 mttt -142.17 62.69 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -154.72 -58.82 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 109.299 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 153.32 -48.12 0.53 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.523 1.14 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -40.83 -55.74 2.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 0.775 . . . . 0.0 109.299 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.17 -54.66 0.63 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.572 1.17 . . . . 0.0 110.991 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -42.09 148.06 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.19 86.46 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.323 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.1 OUTLIER -55.17 146.53 18.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 110.004 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.528 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 9.7 t80 -49.55 -35.28 19.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -64.15 -64.45 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.324 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.441 ' OE2' ' N ' ' A' ' 55' ' ' LYS . 31.9 mt-10 -48.13 -32.36 6.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -69.63 -41.09 76.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 111.015 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -47.08 -26.15 1.01 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.284 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.7 t -60.87 -35.13 62.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.63 ' CD1' HD11 ' A' ' 49' ' ' LEU . 3.4 tp -80.1 -44.51 19.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.57 -47.13 37.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -42.66 67.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 10.0 mmtt -69.94 -28.7 65.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.548 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 10.4 mt -75.03 -46.49 39.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 109.265 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -72.23 -54.18 10.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.98 166.81 38.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 110.006 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -35.63 3.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.555 1.819 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.54 -50.35 73.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 110.301 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -56.69 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 12.7 mt -50.41 -53.13 31.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -62.87 1.37 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.88 -45.67 49.65 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.0 mt -54.38 -55.23 15.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.459 0.74 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CD1' ' N ' ' A' ' 11' ' ' GLU . 1.5 t80 -50.17 -51.34 44.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -61.02 -47.12 87.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.14 . . . . 0.0 110.248 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -46.62 -30.34 2.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 16' ' ' LYS . 9.5 m-85 -95.86 -50.49 4.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.06 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.855 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -50.8 -26.22 5.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.19 -33.13 61.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.286 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.7 OUTLIER -54.54 -54.25 43.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 109.342 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -114.69 128.97 56.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 52.17 179.98 0.06 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.539 1.149 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -43.92 160.32 0.22 Allowed Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.518 0.775 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.25 9.14 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 62' ' ' SER . 16.5 m-80 -110.2 1.86 18.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 72.4 mt-30 -118.83 132.37 56.12 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.855 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -108.58 162.42 14.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.294 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.99 152.76 51.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 110.01 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -49.83 -56.27 11.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -36.92 68.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 110.325 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -69.5 -65.17 0.75 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.266 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -44.64 -46.08 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.675 ' HA ' HD11 ' A' ' 46' ' ' LEU . 12.1 tttp -42.27 -57.43 2.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.349 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 11.7 mt -54.19 -56.86 14.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -47.95 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.828 HD11 HD22 ' A' ' 49' ' ' LEU . 92.8 mt -49.8 -22.49 1.46 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -71.06 -57.55 4.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -86.32 -51.41 6.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.123 . . . . 0.0 110.405 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.61 -65.37 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' CE2' HG23 ' A' ' 73' ' ' ILE . 20.0 m-85 -149.86 93.74 3.92 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.002 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.553 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.3 Cg_endo -75.03 -6.94 18.67 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.66 -24.61 38.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.988 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -73.52 -21.48 60.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 37' ' ' PRO . 14.4 mt -74.74 -47.18 32.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.138 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -64.45 -27.98 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.228 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.412 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -43.46 164.64 0.03 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.472 1.108 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 35.3 mtt -62.12 -16.08 49.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.9 m -100.69 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 109.937 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -64.01 169.61 4.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 110.427 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.675 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -50.06 -58.93 4.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -44.94 -46.43 11.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -44.45 75.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.07 -63.58 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 3.1 t80 -41.46 -44.18 2.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.117 . . . . 0.0 111.0 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.15 -49.44 19.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.282 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -54.93 -53.06 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.295 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 49' ' ' LEU . 6.7 mt -55.04 -63.59 1.11 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.65 102.28 4.54 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 70.1 0.77 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.155 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -147.99 -55.27 0.21 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.02 74.9 0.25 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.485 1.116 . . . . 0.0 111.057 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -157.22 -56.54 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 112.36 54.27 0.48 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.519 1.137 . . . . 0.0 111.03 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.51 137.6 8.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 0.757 . . . . 0.0 110.294 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 62' ' ' SER . 99.5 t -97.21 162.99 2.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' N ' HG12 ' A' ' 61' ' ' VAL . 1.8 p -137.94 159.87 40.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.443 ' CD1' ' C ' ' A' ' 63' ' ' PHE . 5.0 t80 -49.74 -40.5 41.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -67.77 -65.46 0.69 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 0.0 110.302 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -50.5 -30.81 13.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.321 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -69.75 -43.16 72.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -46.21 -25.69 0.65 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 73.8 t -60.07 -36.72 69.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.688 HD22 HD21 ' A' ' 49' ' ' LEU . 13.9 tp -77.07 -37.8 53.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.5 t -51.91 -48.29 40.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -53.2 -42.0 65.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 109.278 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.7 mmtp -70.51 -29.63 66.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG23 ' CE2' ' A' ' 36' ' ' PHE . 11.2 mt -74.98 -43.31 45.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.376 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 24.5 t -72.18 -53.15 13.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 110.291 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.0 167.63 32.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.023 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -38.24 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.19 -49.11 78.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -60.5 -57.11 14.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.309 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.8 mt -50.21 -54.04 23.79 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -53.68 -62.56 1.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.345 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.8 35.11 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.5 mt -54.62 -54.56 21.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.557 0.798 . . . . 0.0 109.261 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.791 ' CE1' ' CD2' ' A' ' 63' ' ' PHE . 1.9 t80 -50.24 -51.03 47.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 110.935 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.411 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 0.3 OUTLIER -60.94 -47.29 87.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.287 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -44.29 -31.18 0.95 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.255 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.563 ' CD1' HD12 ' A' ' 31' ' ' LEU . 8.7 m-85 -95.85 -47.36 6.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.703 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -56.01 -28.8 58.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.91 -32.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.4 mttt -54.55 -63.43 1.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.463 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 7.3 mt-10 -105.82 128.75 53.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 110.378 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 53.74 174.95 0.07 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.48 1.113 . . . . 0.0 110.961 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.1 157.2 0.2 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.46 9.99 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.502 1.791 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -103.26 -8.03 20.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -116.95 146.45 42.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.118 . . . . 0.0 110.287 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.81 172.8 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 109.323 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.0 m -137.28 152.79 50.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.568 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 9.8 ttmt -49.6 -60.27 3.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.346 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.86 -44.18 73.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.463 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.8 mt-10 -60.49 -65.06 0.75 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.337 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.1 tp -44.59 -49.93 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.108 . . . . 0.0 109.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -41.65 -58.01 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.518 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 15.1 mt -54.18 -57.3 11.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD12 ' CD1' ' A' ' 13' ' ' TYR . 0.5 OUTLIER -48.69 -65.28 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.637 HD11 HD22 ' A' ' 49' ' ' LEU . 93.1 mt -49.75 -21.91 1.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.518 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.82 -57.02 5.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.82 -51.07 6.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.99 -65.38 0.57 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.288 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.672 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 14.2 m-85 -148.57 92.56 4.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 111.008 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -20.11 17.32 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.479 1.778 . . . . 0.0 111.048 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 p -68.23 -31.65 71.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.568 HD12 HD11 ' A' ' 69' ' ' LEU . 0.3 OUTLIER -69.19 -23.13 63.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -74.81 -43.47 54.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.43 -26.99 68.99 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 109.28 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.415 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -46.51 173.72 0.02 OUTLIER Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -61.14 -26.16 67.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 110.99 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.424 ' OG ' HD12 ' A' ' 49' ' ' LEU . 47.9 t -100.6 98.51 9.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.99 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LEU . 21.3 p -75.09 170.06 16.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 110.413 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.542 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.5 tm? -39.71 -64.47 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.361 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.52 -51.12 21.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -55.28 -47.62 75.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 0.0 110.31 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.884 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -59.98 -55.8 29.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 13.1 t80 -43.05 -49.13 6.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.997 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.96 -41.51 59.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 110.26 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -56.36 -56.81 16.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.313 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.884 HD11 HD23 ' A' ' 49' ' ' LEU . 4.1 mt -63.49 -59.34 4.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.157 . . . . 0.0 109.26 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.458 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 14.0 t0 -70.24 -175.7 1.04 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 54' ' ' ASP . 2.0 tttt 85.05 95.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.433 ' ND2' ' OE1' ' A' ' 65' ' ' GLU . 3.5 p30 174.07 -50.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.462 1.102 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 157.3 58.09 0.01 OUTLIER Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.456 1.098 . . . . 0.0 111.007 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -150.13 -58.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 0.804 . . . . 0.0 109.285 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.99 -43.93 1.61 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.521 1.138 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.58 175.17 5.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 98.5 t -94.23 75.09 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -48.57 152.83 0.87 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.983 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.791 ' CD2' ' CE1' ' A' ' 10' ' ' PHE . 1.1 t80 -49.67 -41.8 43.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -58.43 -63.95 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.531 1.144 . . . . 0.0 110.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.433 ' OE1' ' ND2' ' A' ' 56' ' ' ASN . 19.4 mt-10 -48.84 -35.47 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.315 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CE2' ' CD2' ' A' ' 10' ' ' PHE . 21.2 t80 -70.27 -41.1 73.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 -50.3 -28.78 8.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.66 -34.71 59.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.533 1.146 . . . . 0.0 109.277 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.652 ' CD2' HD21 ' A' ' 49' ' ' LEU . 4.8 tp -80.14 -41.11 26.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.327 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.496 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -56.05 -46.23 80.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 109.249 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -45.06 73.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 109.297 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -70.4 -23.07 62.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.672 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 57.8 mt -76.87 -48.79 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -75.48 -54.49 6.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.996 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.553 1.158 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -76.37 163.02 68.89 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.003 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -37.51 1.99 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 110.964 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -48.36 79.16 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.21 -52.61 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.303 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 6' ' ' LEU . 7.0 mt -50.41 -47.82 56.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -62.44 1.65 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.54 -36.24 70.0 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.528 1.142 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.505 HG22 HD11 ' A' ' 31' ' ' LEU . 20.0 mt -54.75 -53.77 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.511 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 2.1 t80 -50.2 -52.36 36.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.44 1.088 . . . . 0.0 111.03 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.408 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -60.91 -47.53 86.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 110.289 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.4 tttt -45.43 -27.77 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.402 ' N ' ' C ' ' A' ' 11' ' ' GLU . 6.3 m-85 -95.73 -48.03 5.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 111.031 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.745 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -53.24 -32.09 46.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.57 -35.69 79.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -59.65 4.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.412 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.6 mt-10 -111.75 129.06 56.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.092 . . . . 0.0 110.317 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 55.8 -179.9 0.39 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.28 163.8 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.475 0.75 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -2.6 12.75 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.527 1.804 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.405 ' O ' ' N ' ' A' ' 63' ' ' PHE . 70.9 m-20 -105.79 -13.78 15.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -104.57 139.25 39.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 110.325 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -113.3 172.78 6.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.3 m -139.18 152.34 47.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.965 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' HD11 ' A' ' 46' ' ' LEU . 0.1 OUTLIER -49.8 -58.27 5.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.77 -45.03 74.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.412 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.5 mt-10 -59.87 -65.16 0.72 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.138 . . . . 0.0 110.309 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 28' ' ' LEU . 3.7 tp -46.05 -49.16 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -40.43 -57.01 1.9 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.3 mt -54.13 -56.96 13.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -47.71 -65.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.296 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.008 HD11 HD22 ' A' ' 49' ' ' LEU . 68.1 mt -50.06 -22.13 1.51 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.514 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.8 tt0 -70.8 -58.0 4.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 110.337 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.69 -50.89 6.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.442 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.6 tt0 -47.87 -65.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.265 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.56 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 11.3 m-85 -149.33 91.84 4.38 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' HA ' HD12 ' A' ' 40' ' ' LEU . 18.4 Cg_endo -74.97 -21.34 16.03 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.514 1.797 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.442 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 11.6 p -68.8 -31.96 71.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 -23.28 66.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 37' ' ' PRO . 36.4 mt -74.96 -44.83 46.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.568 1.168 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -60.88 -26.83 67.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.405 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -51.11 172.11 0.18 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.3 mmt -60.59 -19.69 58.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 0.724 . . . . 0.0 110.959 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.74 98.46 8.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 48' ' ' GLU . 20.9 p -75.91 169.74 17.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.524 1.14 . . . . 0.0 110.422 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.572 HD11 ' HG2' ' A' ' 25' ' ' LYS . 1.3 tm? -43.63 -65.09 0.54 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.52 -45.16 18.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 45' ' ' THR . 0.8 OUTLIER -55.07 -44.17 74.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.28 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.008 HD22 HD11 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -65.12 -60.24 3.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.296 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 7.0 t80 -43.12 -44.18 4.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -75.23 -50.24 16.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.281 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -54.62 -54.53 40.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.92 HD11 HD23 ' A' ' 49' ' ' LEU . 5.3 mt -52.55 -62.74 1.45 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.77 99.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.342 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.89 -56.93 3.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -40.83 -56.5 2.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.69 60.75 0.56 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -119.19 -58.13 1.95 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.768 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 129.19 54.33 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.535 1.147 . . . . 0.0 110.969 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -167.41 126.4 1.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 0.748 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 23' ' ' LEU . 89.1 t -99.94 110.92 28.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.62 154.02 28.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.414 ' CD1' ' CE1' ' A' ' 10' ' ' PHE . 24.3 t80 -49.65 -37.92 30.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -62.67 -65.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -47.33 -37.13 10.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.429 ' O ' ' N ' ' A' ' 69' ' ' LEU . 65.8 t80 -64.61 -43.04 95.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -44.34 -26.35 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.5 t -61.0 -43.15 95.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD22 HD21 ' A' ' 49' ' ' LEU . 5.4 tp -72.09 -41.73 66.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.544 1.152 . . . . 0.0 109.298 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.3 t -52.53 -47.92 47.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.14 -45.31 79.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.9 mmtt -70.0 -23.77 63.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 HD11 ' CD2' ' A' ' 69' ' ' LEU . 18.5 mt -77.48 -47.7 25.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.74 -54.93 6.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.983 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.297 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.7 mttp . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.61 167.5 34.72 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -33.82 4.27 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.535 1.808 . . . . 0.0 111.024 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -50.01 74.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.08 -55.7 30.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.286 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' CD2' ' OE2' ' A' ' 35' ' ' GLU . 6.0 mt -50.0 -53.48 26.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' HG2' ' CZ ' ' A' ' 63' ' ' PHE . 0.3 OUTLIER -52.35 -60.37 3.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.22 -52.66 26.58 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -54.54 -53.28 32.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.449 0.735 . . . . 0.0 109.258 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.502 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.7 t80 -50.32 -51.69 43.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.432 ' HA ' ' HB3' ' A' ' 14' ' ' ALA . 1.5 mt-10 -60.98 -46.64 89.94 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.281 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.8 tttt -42.4 -31.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD2' HD12 ' A' ' 31' ' ' LEU . 1.9 m-85 -95.58 -48.12 5.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 111.045 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.751 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -51.67 -29.09 16.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.447 1.092 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.6 -33.53 62.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -54.62 -62.22 1.8 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.464 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 4.0 mt-10 -106.02 129.06 54.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.42 ' HA3' ' NE2' ' A' ' 22' ' ' GLN . . . 51.79 177.53 0.04 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.458 1.099 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 158.01 0.21 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 0.796 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -0.05 9.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -102.41 -10.55 19.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.42 ' NE2' ' HA3' ' A' ' 18' ' ' GLY . 18.4 pt20 -114.2 145.87 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -114.07 174.39 5.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.337 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 4.2 m -140.13 151.76 45.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.012 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -49.66 -58.93 4.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.157 . . . . 0.0 109.343 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -43.09 72.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 2.7 mt-10 -61.16 -65.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 110.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.27 -49.15 17.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.1 ttpt -40.44 -57.24 1.85 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 14.5 mt -54.15 -56.92 13.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.574 HD12 ' CD2' ' A' ' 13' ' ' TYR . 0.4 OUTLIER -48.18 -65.52 0.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.275 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.723 HD12 HD23 ' A' ' 46' ' ' LEU . 83.9 mt -49.68 -22.23 1.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.552 1.157 . . . . 0.0 109.329 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.507 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.5 tt0 -70.88 -56.74 5.6 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.71 -51.4 5.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.383 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 1.1 tt0 -47.68 -65.36 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.698 ' CE2' ' CG2' ' A' ' 73' ' ' ILE . 12.1 m-85 -149.14 92.98 4.22 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.42 9.96 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.454 1.765 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.79 -31.38 72.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.013 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.453 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.85 -23.38 66.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.098 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.422 HD21 ' CB ' ' A' ' 32' ' ' LEU . 68.0 mt -74.86 -45.55 42.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -63.32 -27.2 69.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.404 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -52.11 173.86 0.22 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 4.5 mtt -60.3 -21.52 62.07 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 0.779 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.4 m -100.68 98.43 8.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.7 p -78.02 169.34 18.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.413 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.723 HD23 HD12 ' A' ' 32' ' ' LEU . 1.4 tm? -46.35 -65.17 0.59 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 109.314 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -47.58 -45.13 26.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.05 -43.37 77.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.321 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.9 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -64.93 -61.02 2.42 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.572 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 6.5 t80 -39.84 -37.44 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' OE1' ' CA ' ' A' ' 51' ' ' GLU . 1.3 tp10 -75.07 -58.57 3.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -54.61 -48.08 72.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.282 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.9 HD11 HD23 ' A' ' 49' ' ' LEU . 8.3 mt -51.02 -60.06 3.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 1.142 . . . . 0.0 109.337 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -66.43 93.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.96 -56.43 2.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.275 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -40.64 -54.99 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.29 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.38 98.38 1.16 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 171.87 -54.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.76 -52.41 0.73 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.433 1.083 . . . . 0.0 110.977 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -39.94 122.84 1.53 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG13 ' HB3' ' A' ' 53' ' ' LEU . 70.2 t -98.97 78.85 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -48.97 153.64 0.85 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.046 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.579 ' CE2' ' NE2' ' A' ' 67' ' ' GLN . 17.9 t80 -49.65 -37.2 27.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -63.91 -65.2 0.71 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -48.09 -28.6 2.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 110.327 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 69' ' ' LEU . 43.6 t80 -77.06 -43.45 34.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.579 ' NE2' ' CE2' ' A' ' 63' ' ' PHE . 4.7 mt-30 -46.73 -27.09 1.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.292 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.97 -36.94 75.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 HD22 HD21 ' A' ' 49' ' ' LEU . 4.0 tp -78.22 -42.62 30.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.251 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.4 t -53.56 -46.27 60.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.15 -44.65 71.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.272 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -69.99 -23.9 63.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.698 ' CG2' ' CE2' ' A' ' 36' ' ' PHE . 30.4 mt -77.66 -47.95 24.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 36.8 m -75.57 -55.11 5.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.587 1.179 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 50.7 pttt . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.04 167.29 34.61 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.947 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -37.9 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -49.62 75.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.81 -54.87 39.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.322 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 6' ' ' LEU . 12.0 mt -50.62 -53.7 28.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpt -56.17 -54.18 48.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.136 . . . . 0.0 109.281 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -47.13 -51.41 14.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.661 HG22 HD11 ' A' ' 31' ' ' LEU . 29.3 mt -54.67 -55.28 16.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.499 0.764 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.453 ' CE2' HD21 ' A' ' 23' ' ' LEU . 1.8 t80 -50.26 -50.83 48.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.07 -50.93 71.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.64 -27.72 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.401 ' O ' ' OE1' ' A' ' 27' ' ' GLU . 6.0 m-85 -95.59 -48.1 5.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.828 ' HB2' HD21 ' A' ' 23' ' ' LEU . . . -54.24 -27.51 35.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.85 -36.05 59.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 13.3 mttt -54.55 -62.86 1.38 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.125 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.454 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 3.4 mt-10 -106.94 129.04 54.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.313 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 54.55 175.67 0.11 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' HB2' ' NE2' ' A' ' 22' ' ' GLN . 0.5 OUTLIER -45.6 158.61 0.33 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 0.75 . . . . 0.0 109.309 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -0.98 10.63 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -101.53 -11.22 19.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 19' ' ' ASP . 7.3 pt20 -117.13 145.52 43.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.828 HD21 ' HB2' ' A' ' 14' ' ' ALA . 0.2 OUTLIER -112.97 174.93 5.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 109.355 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.8 m -138.07 153.19 49.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 50' ' ' PHE . 5.1 tttt -49.54 -59.85 3.39 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -45.39 75.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' CG ' ' HG3' ' A' ' 17' ' ' GLU . 4.2 mt-10 -60.07 -65.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.154 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -46.24 -48.9 17.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.9 tttp -40.29 -56.97 1.85 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.289 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' O ' ' CB ' ' A' ' 33' ' ' GLN . 16.5 mt -54.05 -56.76 14.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 HD11 HG22 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -48.64 -65.53 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 109.28 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.74 ' CB ' HD21 ' A' ' 40' ' ' LEU . 94.5 mt -49.7 -22.12 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.333 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.503 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 3.2 tt0 -70.55 -57.38 4.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 110.288 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.57 -50.62 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.444 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -48.1 -65.23 0.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.152 . . . . 0.0 110.337 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.441 ' C ' ' O ' ' A' ' 32' ' ' LEU . 20.6 m-85 -146.4 90.13 5.71 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -22.33 14.86 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.543 1.812 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.0 p -67.45 -34.57 77.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.993 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.536 HD22 HD11 ' A' ' 69' ' ' LEU . 0.4 OUTLIER -67.76 -21.22 65.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.74 HD21 ' CB ' ' A' ' 32' ' ' LEU . 96.7 mt -74.94 -43.86 51.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 42' ' ' GLY . 0.5 OUTLIER -67.33 -29.16 68.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.409 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -47.84 175.15 0.02 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.502 1.126 . . . . 0.0 111.004 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 27.7 mtm -59.13 -24.57 63.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 0.779 . . . . 0.0 110.987 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.0 m -100.68 98.48 9.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.149 . . . . 0.0 109.975 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.5 p -77.38 168.66 19.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.104 . . . . 0.0 110.362 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.736 HD23 HD12 ' A' ' 32' ' ' LEU . 1.5 tm? -44.45 -65.18 0.55 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.73 -47.97 29.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.1 mt-10 -55.3 -45.83 76.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.446 1.091 . . . . 0.0 110.303 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.029 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -63.66 -53.53 49.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 28.8 t80 -44.94 -51.37 9.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.535 1.147 . . . . 0.0 110.968 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.16 -43.95 49.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.41 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 1.5 tt0 -54.92 -56.65 17.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.029 HD11 HD23 ' A' ' 49' ' ' LEU . 6.4 mt -59.82 -62.18 2.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -74.49 101.63 4.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.05 76.08 1.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -165.41 -57.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.25 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 119.63 69.28 0.31 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -140.98 -54.82 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 110.67 53.81 0.55 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.449 1.093 . . . . 0.0 110.987 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -160.36 118.7 2.6 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.561 0.8 . . . . 0.0 110.272 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.558 ' O ' ' CB ' ' A' ' 62' ' ' SER . 11.3 t -79.22 -72.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.5 m 90.1 152.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 110.006 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -49.37 -43.74 44.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 111.024 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.07 -65.5 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.311 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -54.12 -32.5 55.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 110.317 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -71.93 -40.35 68.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -48.82 -32.32 8.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 110.331 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.9 t -60.17 -35.52 62.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.784 HD13 HD21 ' A' ' 49' ' ' LEU . 4.3 tp -77.49 -36.49 52.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' HA ' HD12 ' A' ' 73' ' ' ILE . 2.6 t -59.7 -34.64 56.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.11 -44.98 64.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -23.8 63.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.553 HD12 ' HA ' ' A' ' 70' ' ' VAL . 49.0 mt -77.66 -46.97 26.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 m -76.34 -54.27 6.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.954 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 16.8 mttt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.04 167.5 33.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 0.0 109.967 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -43.64 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.475 1.777 . . . . 0.0 111.008 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -48.96 77.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.284 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.02 -56.49 21.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.107 . . . . 0.0 110.303 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD21 ' HG3' ' A' ' 35' ' ' GLU . 6.7 mt -50.31 -52.57 35.59 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HE3' ' CZ ' ' A' ' 63' ' ' PHE . 6.1 tttt -50.03 -60.5 2.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.24 -48.67 73.16 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.526 1.141 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 19.3 mt -54.34 -51.57 47.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.466 0.744 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.618 ' CZ ' HD21 ' A' ' 23' ' ' LEU . 1.3 t80 -50.32 -53.12 31.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 111.045 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.462 ' N ' ' CD1' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -61.45 -49.09 78.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.267 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 11' ' ' GLU . 14.2 tttt -40.57 -29.68 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.543 ' CD2' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -95.7 -50.09 5.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 111.033 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.52 ' HB2' ' CD2' ' A' ' 23' ' ' LEU . . . -54.35 -20.29 7.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.96 -33.56 30.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' CB ' ' OE2' ' A' ' 27' ' ' GLU . 0.2 OUTLIER -54.63 -59.79 4.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.469 ' HG3' ' CG ' ' A' ' 27' ' ' GLU . 6.2 mt-10 -105.48 128.05 53.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.306 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLU . . . 48.6 -179.73 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.515 1.134 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.87 151.93 2.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.48 0.753 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.46 ' HA ' ' C ' ' A' ' 14' ' ' ALA . 18.3 Cg_endo -75.07 2.9 6.16 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.404 ' O ' ' HA ' ' A' ' 62' ' ' SER . 43.9 m-20 -89.66 -18.45 26.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.342 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.424 ' C ' HD23 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -124.65 151.15 45.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 110.259 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD21 ' CZ ' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -110.77 178.63 4.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 21.7 m -141.48 152.16 43.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.006 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HB2' ' CZ ' ' A' ' 50' ' ' PHE . 35.3 tttt -49.2 -59.34 3.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.358 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.91 -44.76 74.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.271 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 16' ' ' LYS . 3.5 mt-10 -61.31 -65.18 0.73 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 110.28 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -46.03 -45.42 15.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.68 ' HA ' HD11 ' A' ' 46' ' ' LEU . 17.7 tttm -41.57 -57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' TYR . 17.4 mt -53.98 -57.15 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.458 1.098 . . . . 0.0 109.265 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 35' ' ' GLU . 0.4 OUTLIER -48.1 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.127 . . . . 0.0 109.265 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.805 HD11 HD22 ' A' ' 49' ' ' LEU . 84.5 mt -49.9 -22.04 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.152 . . . . 0.0 109.287 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.516 ' CB ' ' O ' ' A' ' 30' ' ' LEU . 2.9 tt0 -70.85 -58.62 3.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 110.347 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.3 -50.69 6.75 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' N ' ' O ' ' A' ' 31' ' ' LEU . 3.1 tt0 -47.9 -65.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.438 1.086 . . . . 0.0 110.315 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.571 ' CE2' HG21 ' A' ' 73' ' ' ILE . 20.5 m-85 -150.03 89.06 4.67 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 111.035 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -19.0 18.34 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.46 1.768 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.443 ' O ' ' CG ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -71.62 -31.34 66.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.023 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 39' ' ' LEU . 0.3 OUTLIER -66.52 -22.67 66.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.0 mt -74.96 -44.64 47.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 38' ' ' SER . 0.0 OUTLIER -59.94 -26.55 66.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.411 ' N ' ' HG3' ' A' ' 41' ' ' LYS . . . -49.91 167.87 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.8 mtt -60.94 -14.35 21.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 0.745 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.5 m -100.62 98.51 9.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 110.021 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.9 p -71.79 170.05 14.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 110.368 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.68 HD11 ' HA ' ' A' ' 29' ' ' LYS . 0.4 OUTLIER -47.48 -61.65 1.82 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.569 1.168 . . . . 0.0 109.29 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -44.78 -46.46 10.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' O ' ' CB ' ' A' ' 52' ' ' GLU . 1.0 OUTLIER -56.09 -44.53 79.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.296 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 1.056 HD23 HD11 ' A' ' 53' ' ' LEU . 0.2 OUTLIER -65.3 -63.86 1.0 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 25' ' ' LYS . 4.2 t80 -39.88 -47.35 2.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' LYS . 0.5 OUTLIER -75.36 -47.64 26.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.323 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.451 ' CB ' ' O ' ' A' ' 48' ' ' GLU . 37.5 tt0 -55.16 -57.92 9.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 1.056 HD11 HD23 ' A' ' 49' ' ' LEU . 4.0 mt -52.72 -54.83 28.25 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.105 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -73.58 -90.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER 53.26 69.21 0.73 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' A' ' 57' ' ' GLY . 23.8 p30 175.38 39.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASN . . . 36.47 90.81 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.472 1.107 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -168.83 -55.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 0.786 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 82.25 46.25 6.63 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.49 121.09 10.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 110.306 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.741 HG11 HD13 ' A' ' 53' ' ' LEU . 98.8 t -104.12 80.87 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 0.0 109.339 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER -61.77 159.53 13.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . 0.562 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 71.6 t80 -49.73 -41.23 43.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -58.48 -65.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.142 . . . . 0.0 110.306 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.03 -24.77 41.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 0.0 110.284 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.483 ' HA ' HD22 ' A' ' 53' ' ' LEU . 37.0 t80 -80.06 -40.98 26.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.487 ' NE2' ' CZ ' ' A' ' 63' ' ' PHE . 2.1 mt-30 -49.61 -28.18 5.46 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.553 1.158 . . . . 0.0 110.325 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.92 -28.78 41.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.531 HD22 HD21 ' A' ' 49' ' ' LEU . 5.0 tp -80.06 -42.4 23.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.6 t -60.19 -47.79 90.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.359 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.75 -42.96 65.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -69.96 -23.96 63.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.571 HG21 ' CE2' ' A' ' 36' ' ' PHE . 29.3 mt -77.69 -47.09 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.43 -54.68 6.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 109.988 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ' CE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_